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Isotopically Labeled Compounds

Chemicals to which isotopes have been attached in order to label specific atoms. Isotopically labeled compounds are commonly used in synthetic chemistry, characterization techniques such as NMR, and biology.
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1

Acetic acid-d, for NMR, 99.5 atom % D

CAS: 758-12-3 Molecular Formula: C2H3O2 Molecular Weight (g/mol): 59.05 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-M IUPAC Name: acetate SMILES: CC([O-])=O

CAS 758-12-3
Molecular Weight (g/mol) 59.05
SMILES CC([O-])=O
IUPAC Name acetate
InChI Key QTBSBXVTEAMEQO-UHFFFAOYSA-M
Molecular Formula C2H3O2
2

Trifluoroacetic acid-d, for NMR, packaged in 0.75 ml ampoules, 99.5 atom % D

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.03 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N IUPAC Name: trifluoroethan(²H)oic acid SMILES: [2H]OC(=O)C(F)(F)F

CAS 599-00-8
Molecular Weight (g/mol) 115.03
SMILES [2H]OC(=O)C(F)(F)F
IUPAC Name trifluoroethan(²H)oic acid
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2