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CHEBI:179914 - 1-Phenylethyl butyrate

ChEBI IDCHEBI:179914
ChEBI Name1-Phenylethyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O2
Net Charge0
Average Mass192.258
Monoisotopic Mass192.11503
SMILESCCCC(=O)OC(C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKeyGGKADXREVJTZMF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Phenylethyl butyrate (CHEBI:179914) has functional parent benzyl alcohol (CHEBI:17987)
1-Phenylethyl butyrate (CHEBI:179914) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
1-phenylethyl butanoate
Manual XrefsDatabases
HMDB0037717HMDB
496076ChemSpider
Registry NumbersSources
CAS:3460-44-4ChemIDplus