CHEBI:179904 - Benzyl 3-methylbutanoate

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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 Benzyl 3-methylbutanoate
ChEBI ID CHEBI:179904
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H16O2
Net Charge 0
Average Mass 192.258
Monoisotopic Mass 192.11503
InChI InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey HVJKZICIMIWFCP-UHFFFAOYSA-N
SMILES O(C(=O)CC(C)C)CC1=CC=CC=C1
ChEBI Ontology
Outgoing 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 Xrefs Databases
7368 ChemSpider
HMDB0032043 HMDB
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Registry Number Type Source
103-38-8 CAS Registry Number ChemIDplus