deuterated chloroform (CHEBI:85365)

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ChEBI Name	deuterated chloroform

ChEBI ID	CHEBI:85365

Definition	A deuterated compound that is an isotopologue of chloroform in which the hydrogen atom is replaced with deuterium. Commonly used as a solvent in proton NMR spectroscopy.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Philippe Rocca-Serra

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Formula

CDCl3

Net Charge

Average Mass

120.380

Monoisotopic Mass

118.92066

InChI

InChI=1S/CHCl3/c2-1(3)4/h1H/i1D

InChIKey

HEDRZPFGACZZDS-MICDWDOJSA-N

SMILES

[2H]C(Cl)(Cl)Cl

Roles Classification
Chemical Role(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing. NMR solvent A solvent used in nuclear magnetic resonance (NMR) spectroscopy. non-polar solvent

Application(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing. NMR solvent A solvent used in nuclear magnetic resonance (NMR) spectroscopy. non-polar solvent

ChEBI Ontology
Outgoing	deuterated chloroform (CHEBI:85365) has role NMR chemical shift reference compound (CHEBI:228364) deuterated chloroform (CHEBI:85365) has role NMR solvent (CHEBI:197449) deuterated chloroform (CHEBI:85365) has role non-polar solvent (CHEBI:48355) deuterated chloroform (CHEBI:85365) is a chloromethanes (CHEBI:23148) deuterated chloroform (CHEBI:85365) is a deuterated compound (CHEBI:76107)

IUPAC Name

trichloro(²H)methane

Last Modified

09 January 2024