CHEBI:173829 - p-Tolyl isobutyrate

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ChEBI Name p-Tolyl isobutyrate
ChEBI ID CHEBI:173829
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/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey UPPSFGGDKACIKP-UHFFFAOYSA-N
SMILES O(C(=O)C(C)C)C1=CC=C(C=C1)C
ChEBI Ontology
Outgoing p-Tolyl isobutyrate (CHEBI:173829) is a benzoate ester (CHEBI:36054)
p-Tolyl isobutyrate (CHEBI:173829) is a phenols (CHEBI:33853)
IUPAC Name
(4-methylphenyl) 2-methylpropanoate
Manual Xrefs Databases
7401 ChemSpider
HMDB0037708 HMDB
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Registry Number Type Source
103-93-5 CAS Registry Number ChemIDplus