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CHEBI:193048 - toluene-d8

ChEBI IDCHEBI:193048
ChEBI Nametoluene-d8
Stars
Last Modified18 October 2023
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC7D8
Net Charge0
Average Mass100.190
Monoisotopic Mass100.11281
SMILES[2H]c1c([2H])c([2H])c(C([2H])([2H])[2H])c([2H])c1[2H]
InChIInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
InChIKeyYXFVVABEGXRONW-JGUCLWPXSA-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)
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  Source
perdeuteriotolueneSUBMITTER
octadeuterotolueneSUBMITTER
perdeuterated tolueneSUBMITTER
Registry NumbersSources
CAS:2037-26-5SUBMITTER