Isotopically Labeled Compounds

Isopropanol-d8, for NMR, +99% atom D, ACROS Organics™

CAS: 22739-76-0 Molecular Formula: C3H8O Molecular Weight (g/mol): 68.145 MDL Number: MFCD00044341 InChI Key: KFZMGEQAYNKOFK-PIODKIDGSA-N Synonym: 2-propanol-d8, isopropanol-d8, 2 h? propan-2-2 h ol, octadeuteroisopropanol, 2h8-2-propanol, 2-propan-1,1,1,2,3,3,3-d7-ol-d, 2-propanol-d isotopic 1g, 2-propanol-d8, 99.5 atom % d PubChem CID: 2723972 IUPAC Name: 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane SMILES: CC(C)O

Alfa Aesar™ Toluene-d8, 99.6%(Isotopic)

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 MDL Number: MFCD00044638 InChI Key: YXFVVABEGXRONW-JGUCLWPXSA-N Synonym: toluene-d8, 2h8 toluene, perdeuteriotoluene, benzene-d5, methyl-d3, perdeuterotoluene, benzene-d5-, methyl-d3, 1,2,3,4,5-pentadeuterio-6-trideuteriomethyl benzene, toluene d8, toluene-d8, 99 atom % d, toluene-d8, 99.6 atom % d PubChem CID: 74861 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene SMILES: CC1=CC=CC=C1

Methyl sulfoxide-d6, for NMR, packaged in 0.75mL ampoules, 99.9 atom % D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6, dmso-d6, dimethylsulfoxide-d6, deuterated dmso, methane-d3,sulfinylbis-9ci, methane-d3, sulfinylbis, hexadeuterodimethyl sulfoxide, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen, dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Chloroform-d, for NMR, 99.8% atom D, ACROS Organics™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d, deuterochloroform, methane-d, trichloro, 2h chloroform, deuterated chloroform, cdcl3, trichloromethane-d, unii-p1nw4885vt, trichloro deuterio methane, chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

Acetone-d6, for NMR, packaged in 0.75mL ampoules, 99.9% atom D, ACROS Organics™

CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6, 2h6 acetone, hexadeuteroacetone, acetone d6, perdeuteroacetone, deuterated acetone, unii-b0n19b53h8, cd3 2co, 2-propanone-1,1,1,3,3,3-d6, d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C

Acetone-d6, for NMR, 99.8 atom % D, ACROS Organics™

CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6, 2h6 acetone, hexadeuteroacetone, acetone d6, perdeuteroacetone, deuterated acetone, unii-b0n19b53h8, cd3 2co, 2-propanone-1,1,1,3,3,3-d6, d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C

Dimethyl sulfoxide - D6, deuteration degree min. 99.8% for NMR spectroscopy, MagniSolv™, MilliporeSigma™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6, dmso-d6, dimethylsulfoxide-d6, deuterated dmso, methane-d3,sulfinylbis-9ci, methane-d3, sulfinylbis, hexadeuterodimethyl sulfoxide, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen, dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Methyl sulfoxide-d6, for NMR, 99.9% atom D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6, dmso-d6, dimethylsulfoxide-d6, deuterated dmso, methane-d3,sulfinylbis-9ci, methane-d3, sulfinylbis, hexadeuterodimethyl sulfoxide, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen, dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Deuterium oxide, for NMR, 99.8 atom % D, ACROS Organics™

CAS: 7789-20-0 Molecular Formula: H2O Molecular Weight (g/mol): 20.027 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N Synonym: deuterium oxide, water-d2, heavy water, deuterated water, dideuterium oxide, heavy water-d2, heavy water d2o, water sup 2-h2, deuterium oxide usan, water, heavy d2-o PubChem CID: 24602 ChEBI: CHEBI:41981 SMILES: O

Chloroform - D1, deuteration degree min. 99.8% for NMR spectroscopy, MagniSolv™, MilliporeSigma™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d, deuterochloroform, methane-d, trichloro, 2h chloroform, deuterated chloroform, cdcl3, trichloromethane-d, unii-p1nw4885vt, trichloro deuterio methane, chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

Sodium deuteroxide, for NMR, 30 wt.% solution in D2O, 99+% atom D, ACROS Organics™

CAS: 14014-06-3 Molecular Formula: HNaO Molecular Weight (g/mol): 41.003 MDL Number: MFCD00037669 InChI Key: HEMHJVSKTPXQMS-DYCDLGHISA-M Synonym: sodium deuteroxide, sodium hydroxide na od, sodium deuteroxide, 40 wt% in deuterium oxide, naod, sodium hydroxide-d, sodium deuteroxide solution, sodium deuteroxide, 1 m in deuterium oxide, sodium deuteroxide, 0.1 m in deuterium oxide, sodium deuteroxide, 30 wt% in deuterium oxide, sodium hydroxide na od 6ci,7ci,8ci,9ci PubChem CID: 23676750 SMILES: [OH-].[Na+]

Methanol-d4, for NMR, 99.8 atom% D, AcroSeal™, ACROS Organics™

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: methanol-d4, perdeuteromethanol, tetradeuteromethanol, methan-d3-ol-d, 2h4 methanol, methyl alcohol-d4, cd3od, methyl-d3 alcohol-d, trideuterio deuteriooxy methane, methanol-d4, 99.8 atom % d PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Methyl Sulfoxide-d6, for NMR, with 0.03% TMS, in 0.75mL ampoules, 99.9 atom% D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6, dmso-d6, dimethylsulfoxide-d6, deuterated dmso, methane-d3,sulfinylbis-9ci, methane-d3, sulfinylbis, hexadeuterodimethyl sulfoxide, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen, dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Methyl sulfoxide-d6, for NMR, with 0.03% TMS, 99.9 atom% D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6, dmso-d6, dimethylsulfoxide-d6, deuterated dmso, methane-d3,sulfinylbis-9ci, methane-d3, sulfinylbis, hexadeuterodimethyl sulfoxide, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen, dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Toluene-d8, for NMR, +99% atom D, ACROS Organics™

CAS: 2037-26-5 Molecular Formula: C7H8 Molecular Weight (g/mol): 100.19 MDL Number: MFCD00044638 InChI Key: YXFVVABEGXRONW-JGUCLWPXSA-N Synonym: toluene-d8, 2h8 toluene, perdeuteriotoluene, benzene-d5, methyl-d3, perdeuterotoluene, benzene-d5-, methyl-d3, 1,2,3,4,5-pentadeuterio-6-trideuteriomethyl benzene, toluene d8, toluene-d8, 99 atom % d, toluene-d8, 99.6 atom % d PubChem CID: 74861 IUPAC Name: 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene SMILES: CC1=CC=CC=C1

Alfa Aesar™ Pyridine-d5, 100%(Isotopic)

CAS: 7291-22-7 Molecular Formula: C5H5N Molecular Weight (g/mol): 84.133 MDL Number: MFCD00044639 InChI Key: JUJWROOIHBZHMG-RALIUCGRSA-N Synonym: pyridine-d5, 2h5 pyridine, c5d5n, 2 h? pyridine, pyridine d5, pyridine-d5, pyridine,crude,light, pyridine, perdeutero, ~2~h_5_ pyridine, de85c PubChem CID: 558519 IUPAC Name: 2,3,4,5,6-pentadeuteriopyridine SMILES: C1=CC=NC=C1

Methanol-d4, for NMR, 99.8% atom D, ACROS Organics™

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: methanol-d4, perdeuteromethanol, tetradeuteromethanol, methan-d3-ol-d, 2h4 methanol, methyl alcohol-d4, cd3od, methyl-d3 alcohol-d, trideuterio deuteriooxy methane, methanol-d4, 99.8 atom % d PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Dimethyl sulfoxide - D6, w/TMS(0.03vol.%), deuteratn. deg. min. 99.8% for NMR MagniSolv™, MilliporeSigma™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6, dmso-d6, dimethylsulfoxide-d6, deuterated dmso, methane-d3,sulfinylbis-9ci, methane-d3, sulfinylbis, hexadeuterodimethyl sulfoxide, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen, dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Alfa Aesar™ Acetone-d6, 100%(Isotopic), contains 0.03% v/v TMS

CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6, 2h6 acetone, hexadeuteroacetone, acetone d6, perdeuteroacetone, deuterated acetone, unii-b0n19b53h8, cd3 2co, 2-propanone-1,1,1,3,3,3-d6, d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C

Deuterium oxide, ACROS Organics™

CAS: 7789-20-0 Molecular Formula: H2O Molecular Weight (g/mol): 20.027 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N Synonym: deuterium oxide, water-d2, heavy water, deuterated water, dideuterium oxide, heavy water-d2, heavy water d2o, water sup 2-h2, deuterium oxide usan, water, heavy d2-o PubChem CID: 24602 ChEBI: CHEBI:41981 SMILES: O

Tetrahydrofuran-d8, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D, ACROS Organics™

CAS: 1693-74-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 80.156 MDL Number: MFCD00044238 InChI Key: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8, deuterated thf, octadeuterotetrahydrofuran, deuterated tetrahydrofuran, tetrahydrofuran-d8 thf-d8, tetrahydrofuran-d8, >=99.5 atom % d, 2h4 tetrahydro 2h4 furan, thf-d8, 2h8 tetrahydrofuran, furan-d4-, tetrahydro-d4 PubChem CID: 80290 IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriooxolane SMILES: C1CCOC1

Ethanol - D6, deuteration degree min. 99% for NMR spectroscopy, MagniSolv™, EMD Miilipore™

CAS: 1516-08-1 Molecular Formula: C2H6O Molecular Weight (g/mol): 52.106 InChI Key: LFQSCWFLJHTTHZ-LIDOUZCJSA-N Synonym: ethanol-d6, 2h6 ethanol, hexadeuteroethanol, 2h6 ethanol, 2 h? ethan 2 h ol, ethyl-d5 alcohol-d, ethyl alcohol-d6, ethanol-d6, ethanol d, ethanol-d6 9ci PubChem CID: 102138 IUPAC Name: 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane SMILES: CCO

Alfa Aesar™ Tetrahydrofuran-d8, 99.5% (Isotopic)

CAS: 1693-74-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 80.156 MDL Number: MFCD00044238 InChI Key: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8, deuterated thf, octadeuterotetrahydrofuran, deuterated tetrahydrofuran, tetrahydrofuran-d8 thf-d8, tetrahydrofuran-d8, >=99.5 atom % d, 2h4 tetrahydro 2h4 furan, thf-d8, 2h8 tetrahydrofuran, furan-d4-, tetrahydro-d4 PubChem CID: 80290 IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriooxolane SMILES: C1CCOC1

Dimethyl sulfoxide-d6, 99.5% (Isotopic), Alfa Aesar™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6, dmso-d6, dimethylsulfoxide-d6, deuterated dmso, methane-d3,sulfinylbis-9ci, methane-d3, sulfinylbis, hexadeuterodimethyl sulfoxide, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen, dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Methyl sulfoxide-d6, for NMR, packaged in 1.00mL ampoules, 99.9% atom D, ACROS Organics™

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.166 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6, dmso-d6, dimethylsulfoxide-d6, deuterated dmso, methane-d3,sulfinylbis-9ci, methane-d3, sulfinylbis, hexadeuterodimethyl sulfoxide, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen, dimethyl-d6 sulfoxide PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

N,N-Dimethylformamide-d7, for NMR, 99.5% atom D, ACROS Organics™

CAS: 4472-41-7 Molecular Formula: C3H7NO Molecular Weight (g/mol): 80.138 MDL Number: MFCD00003286 InChI Key: ZMXDDKWLCZADIW-YYWVXINBSA-N Synonym: n,n-dimethylformamide-d7, dmf-d7, deuterated dmf, n,n-di 2h3 methyl 2h formamide, dimethyl formamide-d7, dimethylformamide d, heptadeutero-n,n-dimethylformamide, n,n-dimethylformamide-d7 dmf-d7, formamide-1-d, n,n-di methyl-d3, n,n-dimethylformamide-d7 99.5atom%d PubChem CID: 78225 IUPAC Name: 1-deuterio-N,N-bis(trideuteriomethyl)formamide SMILES: CN(C)C=O

Tetrahydrofuran-D8, for NMR, 99.5 atom % D, ACROS Organics™

CAS: 1693-74-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 80.156 MDL Number: MFCD00044238 InChI Key: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8, deuterated thf, octadeuterotetrahydrofuran, deuterated tetrahydrofuran, tetrahydrofuran-d8 thf-d8, tetrahydrofuran-d8, >=99.5 atom % d, 2h4 tetrahydro 2h4 furan, thf-d8, 2h8 tetrahydrofuran, furan-d4-, tetrahydro-d4 PubChem CID: 80290 IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriooxolane SMILES: C1CCOC1

Chloroform-d, for NMR, 99.8+% atom D, contains 0.03 v/v% TMS, ACROS Organics™

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d, deuterochloroform, methane-d, trichloro, 2h chloroform, deuterated chloroform, cdcl3, trichloromethane-d, unii-p1nw4885vt, trichloro deuterio methane, chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

Acetonitrile-d3, for NMR, 99.9% atom D, ACROS Organics™

CAS: 2206-26-0 Molecular Formula: C2H3N Molecular Weight (g/mol): 44.071 MDL Number: MFCD00001881 InChI Key: WEVYAHXRMPXWCK-FIBGUPNXSA-N Synonym: acetonitrile-d3, 2h3 acetonitrile, cd3cn, acetonitrile-2,2,2-d3, methyl-d3 cyanide, trideuteroacetonitrile, acetonitrile-d3, 99.8 atom % d, acetonitrile-d3, acetonitrile-d3, >=99.8 atom % d, acetonitrile-d isotopic 5g PubChem CID: 123151 IUPAC Name: 2,2,2-trideuterioacetonitrile SMILES: CC#N

Pyridine-d5, for NMR, packaged in 0.75mL ampoules, 99.8 atom% D, ACROS Organics™

CAS: 7291-22-7 Molecular Formula: C5H5N Molecular Weight (g/mol): 84.133 MDL Number: MFCD00044639 InChI Key: JUJWROOIHBZHMG-RALIUCGRSA-N Synonym: pyridine-d5, 2h5 pyridine, c5d5n, 2 h? pyridine, pyridine d5, pyridine-d5, pyridine,crude,light, pyridine, perdeutero, ~2~h_5_ pyridine, de85c PubChem CID: 558519 IUPAC Name: 2,3,4,5,6-pentadeuteriopyridine SMILES: C1=CC=NC=C1

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