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BENZENEBUTANOIC ACID, alpha,gamma-DIOXO-, ETHYL ESTER
SpectraBase Compound ID 2a3Lfeixo0n
InChI InChI=1S/C12H12O4/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey UVJQQYMWMAISMQ-UHFFFAOYSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61x3IREScoE
Name Ethyl 2,4-dioxo-4-phenylbutanoate
CAS Registry Number 6296-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey UVJQQYMWMAISMQ-UHFFFAOYSA-N
Molecular Weight 220.224 g/mol
SMILES C(=O)(CC(C(OCC)=O)=O)c1ccccc1
SPLASH splash10-00kb-8900000000-5660c5863ddb49467365
Source of Spectrum HE-1986-1072-0
Synonyms 2,4-Diketo-4-phenyl-butyric acid ethyl ester 2,4-Dioxo-4-phenylbutanoic acid ethyl ester Benzenebutanoic acid, .alpha.,.gamma.-dioxo-, ethyl ester Ethyl 2,4-bis(oxidanylidene)-4-phenyl-butanoate Ethyl 4-phenyl-2,4-dioxobutyrate
Wiley ID 1219643