CHEBI:173823 - Phenylmethyl 2-methylpropanoate

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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 Phenylmethyl 2-methylpropanoate
ChEBI ID CHEBI:173823
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/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey UIKJRDSCEYGECG-UHFFFAOYSA-N
SMILES O(C(=O)C(C)C)CC1=CC=CC=C1
ChEBI Ontology
Outgoing Phenylmethyl 2-methylpropanoate (CHEBI:173823) has functional parent benzyl alcohol (CHEBI:17987)
Phenylmethyl 2-methylpropanoate (CHEBI:173823) is a carboxylic ester (CHEBI:33308)
IUPAC Name
benzyl 2-methylpropanoate
Manual Xrefs Databases
7363 ChemSpider
HMDB0031250 HMDB
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Registry Number Type Source
103-28-6 CAS Registry Number ChemIDplus