CHEBI:193045 - nitromethane-d3

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ChEBI Name nitromethane-d3
ChEBI ID CHEBI:193045
Stars This entity has been manually annotated by a third party.
Submitter Johannes Hunold (ORCID: 0000-0002-4378-6061)
Supplier Information
Download Molfile XML SDF
Formula CD3NO2
Net Charge 0
Average Mass 64.058
Monoisotopic Mass 64.03521
InChI InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3
InChIKey LYGJENNIWJXYER-FIBGUPNXSA-N
SMILES [O-][N+](=O)C([2H])([2H])[2H]
Roles Classification
Chemical Role(s): NMR solvent
A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
Application(s): NMR solvent
A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
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ChEBI Ontology
Outgoing 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 Sources
deuterated nitromethane SUBMITTER
nitro(2H3)methane SUBMITTER
Registry Number Type Source
13031-32-8 CAS Registry Number SUBMITTER
Last Modified
18 October 2023