Methyl 4-phenylbutanoate (CHEBI:173827)

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CHEBI:173827 - Methyl 4-phenylbutanoate

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ChEBI ID	CHEBI:173827
ChEBI Name	Methyl 4-phenylbutanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H14O2
Net Charge	0
Average Mass	178.231
Monoisotopic Mass	178.09938
SMILES	COC(=O)CCCc1ccccc1
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

ChEBI Ontology

Outgoing Relation(s)
	Methyl 4-phenylbutanoate (CHEBI:173827) is a fatty acid methyl ester (CHEBI:4986)

IUPAC Name
methyl 4-phenylbutanoate

Manual Xrefs	Databases
HMDB0036385	HMDB
LMFA07010955	LIPID MAPS
247721	ChemSpider

Registry Numbers	Sources
CAS:2046-17-5	ChemIDplus