CHEBI:193048 - toluene-d8

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ChEBI Name toluene-d8
ChEBI ID CHEBI:193048
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 C7D8
Net Charge 0
Average Mass 100.190
Monoisotopic Mass 100.11281
InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
InChIKey YXFVVABEGXRONW-JGUCLWPXSA-N
SMILES C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing toluene-d8 (CHEBI:193048) has role NMR solvent (CHEBI:197449)
toluene-d8 (CHEBI:193048) is a deuterated compound (CHEBI:76107)
toluene-d8 (CHEBI:193048) is a methylbenzene (CHEBI:38975)
toluene-d8 (CHEBI:193048) is a toluenes (CHEBI:27024)
toluene-d8 (CHEBI:193048) is a volatile organic compound (CHEBI:134179)
IUPAC Name
1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene
Synonyms Sources
octadeuterotoluene SUBMITTER
perdeuterated toluene SUBMITTER
perdeuteriotoluene SUBMITTER
Registry Number Type Source
2037-26-5 CAS Registry Number SUBMITTER
Last Modified
18 October 2023