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CHEBI:180407 - Phenyl butyrate

ChEBI IDCHEBI:180407
ChEBI NamePhenyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O2
Net Charge0
Average Mass164.204
Monoisotopic Mass164.08373
SMILESCCCC(=O)Oc1ccccc1
InChIInChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyIGVPBCZDHMIOJH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Phenyl butyrate (CHEBI:180407) is a benzoate ester (CHEBI:36054)
Phenyl butyrate (CHEBI:180407) is a phenols (CHEBI:33853)
IUPAC Name 
phenyl butanoate
Manual XrefsDatabases
HMDB0041612HMDB
19172ChemSpider
Registry NumbersSources
CAS:4346-18-3ChemIDplus