CHEBI:173831 - 1-Phenylethyl propanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-Phenylethyl propanoate
ChEBI ID CHEBI:173831
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C11H14O2
Net Charge 0
Average Mass 178.231
Monoisotopic Mass 178.09938
InChI InChI=1S/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey WCIQNYOXLZQQMU-UHFFFAOYSA-N
SMILES O(C(C1=CC=CC=C1)C)C(=O)CC
ChEBI Ontology
Outgoing 1-Phenylethyl propanoate (CHEBI:173831) has functional parent benzyl alcohol (CHEBI:17987)
1-Phenylethyl propanoate (CHEBI:173831) is a carboxylic ester (CHEBI:33308)
IUPAC Name
1-phenylethyl propanoate
Manual Xrefs Databases
8125 ChemSpider
HMDB0040287 HMDB
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Registry Number Type Source
120-45-6 CAS Registry Number ChemIDplus