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CHEBI:27415 - (±)-2-(4'-isobutylphenyl)propionitrile

Default Structure
ChEBI IDCHEBI:27415
ChEBI Name(±)-2-(4'-isobutylphenyl)propionitrile
Stars
ASCII Name(+-)-2-(4'-isobutylphenyl)propionitrile
Secondary ChEBI IDsCHEBI:66, CHEBI:18461
Last Modified27 April 2015
DownloadsMolfile
FormulaC13H17N
Net Charge0
Average Mass187.286
Monoisotopic Mass187.13610
SMILESCC(C)Cc1ccc(C(C)C#N)cc1
InChIInChI=1S/C13H17N/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11H,8H2,1-3H3
InChIKeyPKQKHWNHCKNYSW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(±)-2-(4'-isobutylphenyl)propionitrile (CHEBI:27415) is a nitrile (CHEBI:18379)
IUPAC Name 
2-(4-isobutylphenyl)propanenitrile
Synonyms  Source
(+/-)-2-(4'-Isobutylphenyl)propionitrileKEGG COMPOUND
2-(4-Isobutylphenyl)propiononitrileChemIDplus
2-(p-isobutylphenyl)propiononitrileChEBI
Manual XrefsDatabases
C04469KEGG COMPOUND
Registry NumbersSources
Beilstein:2443826Beilstein
CAS:58609-73-7ChemIDplus