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CHEBI:179904 - Benzyl 3-methylbutanoate

ChEBI IDCHEBI:179904
ChEBI NameBenzyl 3-methylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O2
Net Charge0
Average Mass192.258
Monoisotopic Mass192.11503
SMILESCC(C)CC(=O)OCc1ccccc1
InChIInChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyHVJKZICIMIWFCP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Benzyl 3-methylbutanoate (CHEBI:179904) has functional parent benzyl alcohol (CHEBI:17987)
Benzyl 3-methylbutanoate (CHEBI:179904) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
benzyl 3-methylbutanoate
Manual XrefsDatabases
7368ChemSpider
HMDB0032043HMDB
Registry NumbersSources
CAS:103-38-8ChemIDplus