CHEBI:179913 - 1-Phenylethyl isobutyrate

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ChEBI Name 1-Phenylethyl isobutyrate
ChEBI ID CHEBI:179913
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C12H16O2
Net Charge 0
Average Mass 192.258
Monoisotopic Mass 192.11503
InChI InChI=1S/C12H16O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey JZCCYSDOUYQZMW-UHFFFAOYSA-N
SMILES O(C(C1=CC=CC=C1)C)C(=O)C(C)C
ChEBI Ontology
Outgoing 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 Xrefs Databases
494873 ChemSpider
HMDB0037716 HMDB
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Registry Number Type Source
7775-39-5 CAS Registry Number ChemIDplus