Phthalic acid and derivatives

Organic compounds that consist of benzoic acid with an additional carboxylic acid substitution, both groups are located in adjacent carbon atoms; includes compounds that are directly derived from phthalic acid.

1 – 15 de 67 résultats

Methyl hydrogen isophthalate, 97%

CAS: 1877-71-0 Formule moléculaire: C9H8O4 Poids moléculaire (g/mol): 180.159 Numéro MDL: MFCD00029972 Clé InChI: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonyme: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate CID PubChem: 601880 Nom IUPAC: 3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

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Poids moléculaire (g/mol)	180.159
Synonyme	3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
Numéro MDL	MFCD00029972
CAS	1877-71-0
CID PubChem	601880
Nom IUPAC	3-methoxycarbonylbenzoic acid
Clé InChI	WMZNGTSLFSJHMZ-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC=CC(=C1)C(=O)O
Formule moléculaire	C9H8O4

Dimethyl 5-aminoisophthalate, 98%

CAS: 99-27-4 Formule moléculaire: C10H11NO4 Poids moléculaire (g/mol): 209.201 Numéro MDL: MFCD00008435 Clé InChI: DEKPYXUDJRABNK-UHFFFAOYSA-N CID PubChem: 66831 Nom IUPAC: dimethyl 5-aminobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)N)C(=O)OC

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Poids moléculaire (g/mol)	209.201
Numéro MDL	MFCD00008435
CAS	99-27-4
CID PubChem	66831
Nom IUPAC	dimethyl 5-aminobenzene-1,3-dicarboxylate
Clé InChI	DEKPYXUDJRABNK-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC(=CC(=C1)N)C(=O)OC
Formule moléculaire	C10H11NO4

Diethyl terephthalate, 95%

CAS: 636-09-9 Formule moléculaire: C12H14O4 Poids moléculaire (g/mol): 222.24 Numéro MDL: MFCD00039891 Clé InChI: ONIHPYYWNBVMID-UHFFFAOYSA-N Synonyme: diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester CID PubChem: 12483 Nom IUPAC: diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC

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Poids moléculaire (g/mol)	222.24
Synonyme	diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester
Numéro MDL	MFCD00039891
CAS	636-09-9
CID PubChem	12483
Nom IUPAC	diethyl benzene-1,4-dicarboxylate
Clé InChI	ONIHPYYWNBVMID-UHFFFAOYSA-N
SMILES	CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
Formule moléculaire	C12H14O4

Methyl hydrogen terephthalate, 99+%

CAS: 1679-64-7 Formule moléculaire: C9H8O4 Poids moléculaire (g/mol): 180.159 Numéro MDL: MFCD00002557 Clé InChI: REIDAMBAPLIATC-UHFFFAOYSA-N Synonyme: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate CID PubChem: 15513 Nom IUPAC: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O

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Poids moléculaire (g/mol)	180.159
Synonyme	4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate
Numéro MDL	MFCD00002557
CAS	1679-64-7
CID PubChem	15513
Nom IUPAC	4-methoxycarbonylbenzoic acid
Clé InChI	REIDAMBAPLIATC-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC=C(C=C1)C(=O)O
Formule moléculaire	C9H8O4

3,5-Bis(methoxycarbonyl)benzeneboronic acid, 97%

CAS: 177735-55-6 Formule moléculaire: C10H11BO6 Poids moléculaire (g/mol): 238.00 Numéro MDL: MFCD11053854 Clé InChI: WEJWFDLAZSVCJK-UHFFFAOYSA-N Synonyme: 3,5-bis methoxycarbonyl phenylboronic acid,3,5-bis methoxycarbonyl phenyl boronic acid,3,5-bis methoxycarbonyl benzeneboronic acid,1,3-benzenedicarboxylic acid, 5-borono-, 1,3-dimethyl ester,3,5-di methoxycarbonyl phenylboronic acid,acmc-1c6yh,3,5-bis methoxycarbonyl phenyl-dihydroxyborane CID PubChem: 19363104 Nom IUPAC: [3,5-bis(methoxycarbonyl)phenyl]boronic acid SMILES: COC(=O)C1=CC(=CC(=C1)B(O)O)C(=O)OC

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Poids moléculaire (g/mol)	238.00
Synonyme	3,5-bis methoxycarbonyl phenylboronic acid,3,5-bis methoxycarbonyl phenyl boronic acid,3,5-bis methoxycarbonyl benzeneboronic acid,1,3-benzenedicarboxylic acid, 5-borono-, 1,3-dimethyl ester,3,5-di methoxycarbonyl phenylboronic acid,acmc-1c6yh,3,5-bis methoxycarbonyl phenyl-dihydroxyborane
Numéro MDL	MFCD11053854
CAS	177735-55-6
CID PubChem	19363104
Nom IUPAC	[3,5-bis(methoxycarbonyl)phenyl]boronic acid
Clé InChI	WEJWFDLAZSVCJK-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC(=CC(=C1)B(O)O)C(=O)OC
Formule moléculaire	C10H11BO6

2,5-Dihydroxyterephthalic acid, 97%

CAS: 610-92-4 Formule moléculaire: C8H6O6 Poids moléculaire (g/mol): 198.13 Numéro MDL: MFCD00132933 Clé InChI: OYFRNYNHAZOYNF-UHFFFAOYSA-N Synonyme: 1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid CID PubChem: 69131 Nom IUPAC: 2,5-dihydroxyterephthalic acid SMILES: C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O

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Poids moléculaire (g/mol)	198.13
Synonyme	1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid
Numéro MDL	MFCD00132933
CAS	610-92-4
CID PubChem	69131
Nom IUPAC	2,5-dihydroxyterephthalic acid
Clé InChI	OYFRNYNHAZOYNF-UHFFFAOYSA-N
SMILES	C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
Formule moléculaire	C8H6O6

2-Nitroterephthalic acid 1-methyl ester, 97%

CAS: 35092-89-8 Formule moléculaire: C9H7NO6 Poids moléculaire (g/mol): 225.16 Numéro MDL: MFCD00024510 Clé InChI: MIIADZYPHVTLPR-UHFFFAOYSA-N Synonyme: 4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid CID PubChem: 98592 Nom IUPAC: 4-(methoxycarbonyl)-3-nitrobenzoic acid SMILES: COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O

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Poids moléculaire (g/mol)	225.16
Synonyme	4-methoxycarbonyl-3-nitrobenzoic acid,1-methyl 2-nitroterephthalate,methyl hydrogen 2-nitroterephthalate,3-nitro-4-carbomethoxybenzoic acid,2-nitroterephthalic acid 1-methyl ester,methyl 2-nitro-4-carboxybenzoate,methyl-2-nitro-4-carboxy-benzoate,4-carbomethoxy-3-nitro-benzoic acid
Numéro MDL	MFCD00024510
CAS	35092-89-8
CID PubChem	98592
Nom IUPAC	4-(methoxycarbonyl)-3-nitrobenzoic acid
Clé InChI	MIIADZYPHVTLPR-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O
Formule moléculaire	C9H7NO6

2-Nitroterephthalic acid 4-methyl ester, 97%

CAS: 55737-66-1 Formule moléculaire: C9H7NO6 Poids moléculaire (g/mol): 225.156 Numéro MDL: MFCD06203344 Clé InChI: VULISSQANNKDCH-UHFFFAOYSA-N Synonyme: 4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester CID PubChem: 21906474 SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

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Poids moléculaire (g/mol)	225.156
Synonyme	4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester
Numéro MDL	MFCD06203344
CAS	55737-66-1
CID PubChem	21906474
Clé InChI	VULISSQANNKDCH-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
Formule moléculaire	C9H7NO6

3,5-Bis(methoxycarbonyl)benzeneboronic acid pinacol ester, 97%

CAS: 944392-68-1 Formule moléculaire: C16H21BO6 Poids moléculaire (g/mol): 320.148 Numéro MDL: MFCD11858596 Clé InChI: IGSNWXAGFXHYOG-UHFFFAOYSA-N CID PubChem: 42614529 Nom IUPAC: dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC

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Poids moléculaire (g/mol)	320.148
Numéro MDL	MFCD11858596
CAS	944392-68-1
CID PubChem	42614529
Nom IUPAC	dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
Clé InChI	IGSNWXAGFXHYOG-UHFFFAOYSA-N
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC
Formule moléculaire	C16H21BO6

2-Bromoterephthalic acid, 97%

CAS: 586-35-6 Formule moléculaire: C8H5BrO4 Poids moléculaire (g/mol): 245.028 Numéro MDL: MFCD00002403 Clé InChI: QPBGNSFASPVGTP-UHFFFAOYSA-N Synonyme: bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9 CID PubChem: 68513 Nom IUPAC: 2-bromoterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)Br)C(=O)O

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Poids moléculaire (g/mol)	245.028
Synonyme	bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9
Numéro MDL	MFCD00002403
CAS	586-35-6
CID PubChem	68513
Nom IUPAC	2-bromoterephthalic acid
Clé InChI	QPBGNSFASPVGTP-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1C(=O)O)Br)C(=O)O
Formule moléculaire	C8H5BrO4

Diethyl terephthalate, 98%

CAS: 636-09-9 Formule moléculaire: C₁₂H₁₄O₄ Poids moléculaire (g/mol): 222.24 Numéro MDL: MFCD00039891 Clé InChI: ONIHPYYWNBVMID-UHFFFAOYSA-N Synonyme: diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester CID PubChem: 12483 Nom IUPAC: diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC

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Poids moléculaire (g/mol)	222.24
Synonyme	diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester
Numéro MDL	MFCD00039891
CAS	636-09-9
CID PubChem	12483
Nom IUPAC	diethyl benzene-1,4-dicarboxylate
Clé InChI	ONIHPYYWNBVMID-UHFFFAOYSA-N
SMILES	CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
Formule moléculaire	C₁₂H₁₄O₄

Dimethyl terephthalate, 99%

CAS: 120-61-6 Formule moléculaire: C10H10O4 Poids moléculaire (g/mol): 194.19 Numéro MDL: MFCD00008440 Clé InChI: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonyme: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate CID PubChem: 8441 SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC

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Poids moléculaire (g/mol)	194.19
Synonyme	dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate
Numéro MDL	MFCD00008440
CAS	120-61-6
CID PubChem	8441
Clé InChI	WOZVHXUHUFLZGK-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC=C(C=C1)C(=O)OC
Formule moléculaire	C10H10O4

Terephthalic acid, 99+%

CAS: 100-21-0 Formule moléculaire: C₈H₆O₄ Poids moléculaire (g/mol): 166.13 Numéro MDL: MFCD00002558 Clé InChI: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonyme: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene CID PubChem: 7489 ChEBI: CHEBI:15702 Nom IUPAC: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

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Poids moléculaire (g/mol)	166.13
Synonyme	p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene
Numéro MDL	MFCD00002558
CAS	100-21-0
CID PubChem	7489
ChEBI	CHEBI:15702
Nom IUPAC	terephthalic acid
Clé InChI	KKEYFWRCBNTPAC-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1C(=O)O)C(=O)O
Formule moléculaire	C₈H₆O₄

Bis(2-ethylhexyl) terephthalate, 97%

CAS: 6422-86-2 Formule moléculaire: C₂₄H₃₈O₄ Poids moléculaire (g/mol): 390.55 Numéro MDL: MFCD00072256 Clé InChI: RWPICVVBGZBXNA-UHFFFAOYSA-N Synonyme: bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester CID PubChem: 22932 Nom IUPAC: bis(2-ethylhexyl) benzene-1,4-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

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Poids moléculaire (g/mol)	390.55
Synonyme	bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester
Numéro MDL	MFCD00072256
CAS	6422-86-2
CID PubChem	22932
Nom IUPAC	bis(2-ethylhexyl) benzene-1,4-dicarboxylate
Clé InChI	RWPICVVBGZBXNA-UHFFFAOYSA-N
SMILES	CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
Formule moléculaire	C₂₄H₃₈O₄

Dimethyl 5-hydroxyisophthalate, 99%

CAS: 13036-02-7 Formule moléculaire: C10H10O5 Poids moléculaire (g/mol): 210.19 Numéro MDL: MFCD00134367 Clé InChI: DOSDTCPDBPRFHQ-UHFFFAOYSA-N CID PubChem: 83065 SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

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Poids moléculaire (g/mol)	210.19
Numéro MDL	MFCD00134367
CAS	13036-02-7
CID PubChem	83065
Clé InChI	DOSDTCPDBPRFHQ-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
Formule moléculaire	C10H10O5

Phthalic acid and derivatives

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