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CHEBI:193038 - acetonitrile-d3

Default Structure
ChEBI IDCHEBI:193038
ChEBI Nameacetonitrile-d3
Stars
Last Modified18 October 2023
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC2D3N
Net Charge0
Average Mass44.071
Monoisotopic Mass44.04538
SMILES[2H]C([2H])([2H])C#N
InChIInChI=1S/C2H3N/c1-2-3/h1H3/i1D3
InChIKeyWEVYAHXRMPXWCK-FIBGUPNXSA-N
Roles Classification
Chemical Role:
NMR solvent  A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
Application:
NMR solvent  A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
ChEBI Ontology
Outgoing Relation(s)
acetonitrile-d3 (CHEBI:193038) has role NMR solvent (CHEBI:197449)
acetonitrile-d3 (CHEBI:193038) is a deuterated compound (CHEBI:76107)
IUPAC Name 
2,2,2-trideuterioacetonitrile
Synonyms  Source
Acetonitril-d3SUBMITTER
CD3CNSUBMITTER
methyl-d3 cyanideSUBMITTER
Registry NumbersSources
CAS:2206-26-0SUBMITTER