CHEBI:193039 - benzene-d6

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ChEBI Name benzene-d6
ChEBI ID CHEBI:193039
ChEBI ASCII Name benzene-d6
Stars This entity has been manually annotated by a third party.
Submitter Johannes Hunold (ORCID: 0000-0002-4378-6061)
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Formula C6D6
Net Charge 0
Average Mass 84.151
Monoisotopic Mass 84.08461
InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChIKey UHOVQNZJYSORNB-MZWXYZOWSA-N
SMILES C1(=C(C(=C(C(=C1[2H])[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 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 Sources
1,2,3,4,5,6-hexadeuteriobenzene IUPAC
benzene-1,2,3,4,5,6-d6 ChemIDplus
Benzol-d6 SUBMITTER
hexadeuterobenzene SUBMITTER
perdeuterobenzene SUBMITTER
Manual Xref Database
Deuterated_benzene Wikipedia
View more database links
Registry Numbers Types Sources
1076-43-3 CAS Registry Number NIST Chemistry WebBook
1076-43-3 CAS Registry Number ChemIDplus
Last Modified
18 October 2023