CHEBI:193044 - nitrobenzene-d5

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ChEBI Name nitrobenzene-d5
ChEBI ID CHEBI:193044
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 C6D5NO2
Net Charge 0
Average Mass 128.142
Monoisotopic Mass 128.06341
InChI InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
InChIKey LQNUZADURLCDLV-RALIUCGRSA-N
SMILES [O-][N+](=O)C1=C(C(=C(C(=C1[2H])[2H])[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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
4165-60-0 CAS Registry Number SUBMITTER
Last Modified
18 October 2023