CHEBI:16079 - benzyl 2-methyl-3-oxobutanoate

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ChEBI Name benzyl 2-methyl-3-oxobutanoate ChEBI ID CHEBI:16079 Definition A benzyl ester obtained by the formal condensation of the carboxy group of 2-methylacetoacetic acid with the hydroxy group of benzyl alcohol. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:13887, CHEBI:3052, CHEBI:22741 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H14O3 Net Charge 0 Average Mass 206.23776 Monoisotopic Mass 206.09429 InChI InChI=1S/C12H14O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3 InChIKey OKNHVWOSKITDKX-UHFFFAOYSA-N SMILES CC(C(C)=O)C(=O)OCc1ccccc1 ChEBI Ontology Outgoing benzyl 2-methyl-3-oxobutanoate (CHEBI:16079) has functional parent 2-methylacetoacetic acid (CHEBI:37079) benzyl 2-methyl-3-oxobutanoate (CHEBI:16079) is a β-ketoester (CHEBI:51849) benzyl 2-methyl-3-oxobutanoate (CHEBI:16079) is a benzyl ester (CHEBI:90628) benzyl 2-methyl-3-oxobutanoate (CHEBI:16079) is a fatty acid ester (CHEBI:35748) benzyl 2-methyl-3-oxobutanoate (CHEBI:16079) is a methyl ketone (CHEBI:51867) IUPAC Name benzyl 2-methyl-3-oxobutanoate Synonyms Sources Benzyl 2-methyl-3-oxobutanoate KEGG COMPOUND benzyl 2-methyl-3-oxobutanoate UniProt Manual Xref Database C04000 KEGG COMPOUND View more database links Registry Number Type Source 2417095 Reaxys Registry Number Reaxys Last Modified 13 November 2017