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CHEBI:43261 - isobutylbenzene

ChEBI IDCHEBI:43261
ChEBI Nameisobutylbenzene
Stars
DefinitionAn alkylbenzene that is benzene carrying an isobutyl substituent.
Secondary ChEBI IDsCHEBI:33181, CHEBI:43255
Last Modified20 March 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H14
Net Charge0
Average Mass134.222
Monoisotopic Mass134.10955
SMILESCC(C)Cc1ccccc1
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyKXUHSQYYJYAXGZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isobutylbenzene (CHEBI:43261) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
isobutylbenzene
Synonyms  Source
(2-methylpropyl)benzeneNIST Chemistry WebBook
2-methyl-1-phenylpropaneNIST Chemistry WebBook
1-phenyl-2-methylpropaneNIST Chemistry WebBook
ISOBUTYLBENZENEPDBeChem
Manual XrefsDatabases
I4BPDBeChem
DB04078DrugBank
Registry NumbersSources
Beilstein:1852218Beilstein
Gmelin:261101Gmelin
Reaxys:1852218Reaxys
CAS:538-93-2ChemIDplus
CAS:538-93-2NIST Chemistry WebBook
Citations