Isotopically Labeled Compounds

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: 2h3 acetonitrile, acetonitrile-2,2,2-d3, acetonitrile-d isotopic 5g, acetonitrile-d3, acetonitrile-d3, 99.8 atom % d, acetonitrile-d3, >=99.8 atom % d, cd3cn, methyl-d3 cyanide, trideuteroacetonitrile PubChem CID: 123151 IUPAC Name: 2,2,2-trideuterioacetonitrile SMILES: CC#N

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: deuterated water, deuterium oxide, deuterium oxide usan, dideuterium oxide, heavy water, heavy water d2o, heavy water-d2, water sup 2-h2, water, heavy d2-o, water-d2 PubChem CID: 24602 ChEBI: CHEBI:41981 SMILES: O

Methanol-d4, Packaged in 0.75mL Ampules 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: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

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: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen 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: 2h chloroform, cdcl3, chloroform, deutero, chloroform-d, deuterated chloroform, deuterochloroform, methane-d, trichloro, trichloro deuterio methane, trichloromethane-d, unii-p1nw4885vt PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

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: 2-propanone-1,1,1,3,3,3-d6, 2h6 acetone, acetone d6, acetone-d6, cd3 2co, d6-acetone, deuterated acetone, hexadeuteroacetone, perdeuteroacetone, unii-b0n19b53h8 PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C

Methanol-d4, for NMR, contains 0.03 v/v% TMS, 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: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Methyl sulfoxide-d6, for NMR, 99.5+% 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: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Deuterium chloride, for NMR, 20 wt.% solution in D2O, 99+% atom D, ACROS Organics™

CAS: 7698-05-7 Molecular Formula: ClH Molecular Weight (g/mol): 36.46 MDL Number: MFCD00044642 InChI Key: VEXZGXHMUGYJMC-FTGQXOHASA-N Synonym: chloro 2h, chlorohydrogen, deuterium chloride, deuterium chloride, 0.1 m in deuterium oxide, deuterium chloride, 1 m in deuterium oxide, deuterium chloride, 20 wt% in deuterium oxide, deuterium chloride, 38 wt% in deuterium oxide, deuterium chloride, 99 atom % d, hydrochloric acid d, hydrochloric acid-d PubChem CID: 522634 SMILES: Cl

Methanol-d4, for NMR, with 0.03% TMS, in 0.75mL ampoules, 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: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

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: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Methanol-d4, for NMR, 99.6+% 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: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Chloroform-d, for NMR, 99.6+% 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: 2h chloroform, cdcl3, chloroform, deutero, chloroform-d, deuterated chloroform, deuterochloroform, methane-d, trichloro, trichloro deuterio methane, trichloromethane-d, unii-p1nw4885vt PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

Acetone - D6, deuteration degree min. 99.9% for NMR spectroscopy MagniSolv™, MilliporeSigma™

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

Sodium deuteroxide, for NMR, 40 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: naod, sodium deuteroxide, sodium deuteroxide solution, sodium deuteroxide, 0.1 m in deuterium oxide, sodium deuteroxide, 1 m in deuterium oxide, sodium deuteroxide, 30 wt% in deuterium oxide, sodium deuteroxide, 40 wt% in deuterium oxide, sodium hydroxide na od, sodium hydroxide na od 6ci,7ci,8ci,9ci, sodium hydroxide-d PubChem CID: 23676750 SMILES: [OH-].[Na+]

Acetone-d6, for NMR, +99% 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: 2-propanone-1,1,1,3,3,3-d6, 2h6 acetone, acetone d6, acetone-d6, cd3 2co, d6-acetone, deuterated acetone, hexadeuteroacetone, perdeuteroacetone, unii-b0n19b53h8 PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C

Acetonitrile-d3, for NMR, 99.8 atom% D, AcroSeal™, ACROS Organics™

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

Chloroform-d, for NMR, 99.8% atom D, contains 1 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: 2h chloroform, cdcl3, chloroform, deutero, chloroform-d, deuterated chloroform, deuterochloroform, methane-d, trichloro, trichloro deuterio methane, trichloromethane-d, unii-p1nw4885vt PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

Methanol-d4, for NMR, 99.5% 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: 2h4 methanol, cd3od, methan-d3-ol-d, methanol-d4, methanol-d4, 99.8 atom % d, methyl alcohol-d4, methyl-d3 alcohol-d, perdeuteromethanol, tetradeuteromethanol, trideuterio deuteriooxy methane PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

Alfa Aesar™ N,N-Dimethylformamide-d7, 99.5% (Isotopic)

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

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: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Acetonitrile-d3, for NMR, 99% 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: 2h3 acetonitrile, acetonitrile-2,2,2-d3, acetonitrile-d isotopic 5g, acetonitrile-d3, acetonitrile-d3, 99.8 atom % d, acetonitrile-d3, >=99.8 atom % d, cd3cn, methyl-d3 cyanide, trideuteroacetonitrile PubChem CID: 123151 IUPAC Name: 2,2,2-trideuterioacetonitrile SMILES: CC#N

Methyl sulfoxide-d6, for NMR, +99% 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: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

Trifluoroacetic acid-d, for NMR, packaged in 1mL ampoules, 99.5% atom D, ACROS Organics™

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N Synonym: acetic acid-d, 2,2,2-trifluoro, acetic acid-d, trifluoro, acetic acid-d,2,2,2-trifluoro, cf3cood, deuterotrifluoroacetic acid, tfa-d, trifluoroacetic 2h acid, trifluoroacetic acid-d, trifluoroacetic acid-d tfa-d, trifluoroacetic acid-d, 99.5 atom % d PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

Deuterium chloride 20% soln. in D2O, deuteration. deg. min. 99.5%, for NMR, MagniSolv™, MilliporeSigma™

CAS: 7705-07-9 Molecular Formula: Cl4Ti Molecular Weight (g/mol): 189.67 InChI Key: XJDNKRIXUMDJCW-UHFFFAOYSA-J

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: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=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: deuterated water, deuterium oxide, deuterium oxide usan, dideuterium oxide, heavy water, heavy water d2o, heavy water-d2, water sup 2-h2, water, heavy d2-o, water-d2 PubChem CID: 24602 ChEBI: CHEBI:41981 SMILES: O

Acetic-d3 acid-d, for NMR, 99.5% atom D, ACROS Organics™

CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.076 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N Synonym: 2 h? ethan 2 h oic acid, 2h3 acetic 2h acid, 2h4 acetic acid, acetic acid d, acetic acid d4, acetic acid-d4, acetic acid-d4, 99.5 atom % d, acetic-d3 acid-d, cd3cood, tetradeuteroacetic acid PubChem CID: 2723903 IUPAC Name: deuterio 2,2,2-trideuterioacetate SMILES: CC(=O)O

Trifluoroacetic acid-d, for NMR, 99.5% atom D, ACROS Organics™

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N Synonym: acetic acid-d, 2,2,2-trifluoro, acetic acid-d, trifluoro, acetic acid-d,2,2,2-trifluoro, cf3cood, deuterotrifluoroacetic acid, tfa-d, trifluoroacetic 2h acid, trifluoroacetic acid-d, trifluoroacetic acid-d tfa-d, trifluoroacetic acid-d, 99.5 atom % d PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

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: deuterated dmso, dimethyl sulfoxide-d6, dimethyl-d6 sulfoxide, dimethylsulfoxide-d6, dmso-d6, hexadeuterodimethyl sulfoxide, methane-d3, sulfinylbis, methane-d3,sulfinylbis-9ci, methane-d3-, sulfinylbis, methanesulfinylmethyl hydrogen PubChem CID: 75151 IUPAC Name: trideuterio(trideuteriomethylsulfinyl)methane SMILES: CS(=O)C

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