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2-(4-isobutyrylphenyl)-2-keto-acetic acid methyl ester
SpectraBase Compound ID GPZf1JEcXFg
InChI InChI=1S/C13H14O4/c1-8(2)11(14)9-4-6-10(7-5-9)12(15)13(16)17-3/h4-8H,1-3H3
InChIKey DNIZOFNCWBLLLG-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 897i3MzJWCc
Name 2-(4-isobutyrylphenyl)-2-keto-acetic acid methyl ester
Alternate Name(s) 2-[4-(2-methyl-1-oxopropyl)phenyl]-2-oxoacetic acid methyl ester Methyl 2-[4-(2-methylpropanoyl)phenyl]-2-oxidanylidene-ethanoate Methyl 2-[4-(2-methylpropanoyl)phenyl]-2-oxo-acetate
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Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-8(2)11(14)9-4-6-10(7-5-9)12(15)13(16)17-3/h4-8H,1-3H3
InChIKey DNIZOFNCWBLLLG-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES C(C(c1ccc(cc1)C(=O)C(C)C)=O)(=O)OC
SPLASH splash10-004i-0900000000-a7fa51e6980af491301f
Source of Spectrum F-51-10049-4
Wiley ID 793360