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CHEBI:193044 - nitrobenzene-d5

ChEBI IDCHEBI:193044
ChEBI Namenitrobenzene-d5
Stars
Last Modified18 October 2023
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC6D5NO2
Net Charge0
Average Mass128.142
Monoisotopic Mass128.06341
SMILES[2H]c1c([2H])c([2H])c([N+](=O)[O-])c([2H])c1[2H]
InChIInChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
InChIKeyLQNUZADURLCDLV-RALIUCGRSA-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)
nitrobenzene-d5 (CHEBI:193044) has role NMR solvent (CHEBI:197449)
nitrobenzene-d5 (CHEBI:193044) is a C-nitro compound (CHEBI:35716)
nitrobenzene-d5 (CHEBI:193044) is a deuterated compound (CHEBI:76107)
nitrobenzene-d5 (CHEBI:193044) is a nitroarene (CHEBI:51132)
IUPAC Name 
1,2,3,4,5-pentadeuterio-6-nitrobenzene
Registry NumbersSources
CAS:4165-60-0SUBMITTER