CHEBI:193045 - nitromethane-d3

ChEBI IDCHEBI:193045
ChEBI Namenitromethane-d3
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Last Modified18 October 2023
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaCD3NO2
Net Charge0
Average Mass64.058
Monoisotopic Mass64.03521
SMILES[2H]C([2H])([2H])[N+](=O)[O-]
InChIInChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3
InChIKeyLYGJENNIWJXYER-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)
nitromethane-d3 (CHEBI:193045) has role NMR solvent (CHEBI:197449)
nitromethane-d3 (CHEBI:193045) is a deuterated compound (CHEBI:76107)
nitromethane-d3 (CHEBI:193045) is a primary nitroalkane (CHEBI:133972)
nitromethane-d3 (CHEBI:193045) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
trideuterio(nitro)methane
Synonyms  Source
nitro(2H3)methaneSUBMITTER
deuterated nitromethaneSUBMITTER
Registry NumbersSources
CAS:13031-32-8SUBMITTER