Isotopically Labeled Compounds

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

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: 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

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

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

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

Chloroform-d, for NMR, 99.8% atom D, stabilized with silver foil, 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

Iodomethane-d3, for NMR, 99+ atom % D, ACROS Organics™

CAS: 865-50-9 Molecular Formula: CH3I Molecular Weight (g/mol): 144.958 MDL Number: MFCD00001074 InChI Key: INQOMBQAUSQDDS-FIBGUPNXSA-N Synonym: iodomethane-d3, iodo 2h3 methane, trideuterio iodo methane, iodo 2 h? methane, methyl-d3 iodide, trideuteromethyl iodide, iodomethane-12c,d3, methyl-12c,d3 iodide, iodoethane-d5 ethyliodid-d5, methyl iodide d3 stored over copper PubChem CID: 2723978 IUPAC Name: trideuterio(iodo)methane SMILES: CI

Alfa Aesar™ Acetone-d6, 99.9% (Isotopic)

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

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: 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

Alfa Aesar™ Dimethyl sulfoxide-d6, 100% (Isotopic)

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

Dimethyl sulfoxide-d6, 99.9% (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

Methanol-d3, for NMR, 99.5% atom D, ACROS Organics™

CAS: 1849-29-2 Molecular Formula: CH4O Molecular Weight (g/mol): 35.06 MDL Number: MFCD00055877 InChI Key: OKKJLVBELUTLKV-FIBGUPNXSA-N Synonym: methanol-d3, methan-d3-ol, 2h3 methanol, methyl-d3 alcohol, methan-d3-ol 6ci,7ci,8ci,9ci, cd3oh, 1,1,1-trideuteromethanol, methanol d, 1,1,1-2h3 methanol, methanol-d3, 99.8 atom % d PubChem CID: 123132 IUPAC Name: trideuteriomethanol SMILES: CO

Toluene-d8, for NMR, 99.5+% 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™ Cyclohexane-d{12}, 99.5%(Isotopic)

CAS: 1735-17-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 96.235 MDL Number: MFCD00044212 InChI Key: XDTMQSROBMDMFD-LBTWDOQPSA-N Synonym: cyclohexane-d12, 2h12 cyclohexane, cyclohexane d, cyclohexane, d12, 2 h?? cyclohexane, cyclohexane-d12, >=99.6 atom % d, cyclohexane #, cyclohexane-d12, 99.5 atom % d PubChem CID: 123129 IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexane SMILES: C1CCCCC1

Ethanol-d6, for NMR, anhydrous, 99% atom D, ACROS Organics™

CAS: 1516-08-1 Molecular Formula: C2H6O Molecular Weight (g/mol): 52.106 MDL Number: MFCD00051020 InChI Key: LFQSCWFLJHTTHZ-LIDOUZCJSA-N Synonym: ethanol-d6, 2h6 ethanol, hexadeuteroethanol, 2 h? ethan 2 h ol, ethyl-d5 alcohol-d, ethyl alcohol-d6, ethanol d, ethanol-d6 9ci PubChem CID: 102138 IUPAC Name: 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane SMILES: CCO

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

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