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2-Acetyl-4-keto-4-phenyl-butyric acid methyl ester
SpectraBase Compound ID IzksT1Io62f
InChI InChI=1S/C13H14O4/c1-9(14)11(13(16)17-2)8-12(15)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3
InChIKey SPVWGRVVEKVVRD-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 6FopdH8IhW3
Name 2-Acetyl-4-keto-4-phenyl-butyric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-9(14)11(13(16)17-2)8-12(15)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3
InChIKey SPVWGRVVEKVVRD-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES C(C(CC(c1ccccc1)=O)C(=O)C)(=O)OC
SPLASH splash10-0a4l-5900000000-62855f80d6665e3e49e7
Source of Spectrum H-2005-5035-2
Synonyms 2-Acetyl-4-oxo-4-phenylbutanoic acid methyl ester Methyl 2-acetyl-4-oxo-4-phenyl-butanoate Methyl 2-ethanoyl-4-oxidanylidene-4-phenyl-butanoate
Wiley ID 1588084