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CHEBI:193039 - benzene-d6

Default Structure
ChEBI IDCHEBI:193039
ChEBI Namebenzene-d6
Stars
ASCII Namebenzene-d6
Last Modified18 October 2023
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC6D6
Net Charge0
Average Mass84.151
Monoisotopic Mass84.08461
SMILES[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChIKeyUHOVQNZJYSORNB-MZWXYZOWSA-N
Wikipedia
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)
benzene-d6 (CHEBI:193039) has role NMR solvent (CHEBI:197449)
benzene-d6 (CHEBI:193039) is a aromatic annulene (CHEBI:33842)
benzene-d6 (CHEBI:193039) is a benzenes (CHEBI:22712)
benzene-d6 (CHEBI:193039) is a deuterated compound (CHEBI:76107)
benzene-d6 (CHEBI:193039) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
(2H6)benzene
Synonyms  Source
1,2,3,4,5,6-hexadeuteriobenzeneIUPAC
benzene-1,2,3,4,5,6-d6ChemIDplus
Benzol-d6SUBMITTER
hexadeuterobenzeneSUBMITTER
perdeuterobenzeneSUBMITTER
Manual XrefsDatabases
Deuterated_benzeneWikipedia
Registry NumbersSources
CAS:1076-43-3ChemIDplus
CAS:1076-43-3NIST Chemistry WebBook