CHEBI:173824 - Phenylmethyl butanoate

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ChEBI Name Phenylmethyl butanoate
ChEBI ID CHEBI:173824
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/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKey VONGZNXBKCOUHB-UHFFFAOYSA-N
SMILES O(CC1=CC=CC=C1)C(=O)CCC
ChEBI Ontology
Outgoing Phenylmethyl butanoate (CHEBI:173824) has functional parent benzyl alcohol (CHEBI:17987)
Phenylmethyl butanoate (CHEBI:173824) is a carboxylic ester (CHEBI:33308)
IUPAC Name
benzyl butanoate
Manual Xrefs Databases
7367 ChemSpider
HMDB0033376 HMDB
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Registry Number Type Source
103-37-7 CAS Registry Number ChemIDplus