EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179913 - 1-Phenylethyl isobutyrate

ChEBI IDCHEBI:179913
ChEBI Name1-Phenylethyl isobutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O2
Net Charge0
Average Mass192.258
Monoisotopic Mass192.11503
SMILESCC(C)C(=O)OC(C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyJZCCYSDOUYQZMW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Phenylethyl isobutyrate (CHEBI:179913) has functional parent benzyl alcohol (CHEBI:17987)
1-Phenylethyl isobutyrate (CHEBI:179913) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
1-phenylethyl 2-methylpropanoate
Manual XrefsDatabases
494873ChemSpider
HMDB0037716HMDB
Registry NumbersSources
CAS:7775-39-5ChemIDplus