CHEBI:173827 - Methyl 4-phenylbutanoate

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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 Methyl 4-phenylbutanoate
ChEBI ID CHEBI:173827
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/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey YRYZGVBKMWFWGT-UHFFFAOYSA-N
SMILES O(C(=O)CCCC1=CC=CC=C1)C
ChEBI Ontology
Outgoing Methyl 4-phenylbutanoate (CHEBI:173827) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
methyl 4-phenylbutanoate
Manual Xrefs Databases
247721 ChemSpider
HMDB0036385 HMDB
LMFA07010955 LIPID MAPS
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Registry Number Type Source
2046-17-5 CAS Registry Number ChemIDplus