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3-Benzyl-4-ethoxy-4-keto-butyric acid

View entire compound with spectra: 1 MS (GC)

3-Benzyl-4-ethoxy-4-keto-butyric acid
SpectraBase Compound ID Gm7OxMz7Lzi
InChI InChI=1S/C13H16O4/c1-2-17-13(16)11(9-12(14)15)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)
InChIKey SVOFIGAAIVLIFL-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmIWmZLSQbR
Name 3-Benzyl-4-ethoxy-4-keto-butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-2-17-13(16)11(9-12(14)15)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)
InChIKey SVOFIGAAIVLIFL-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(CC(C(=O)OCC)Cc1ccccc1)=O
SPLASH splash10-0f6x-9700000000-46bc2b91702425e60712
Source of Spectrum JC-446-106-0
Synonyms 3-Benzyl-4-ethoxy-4-oxo-butanoic acid 4-Ethoxy-4-oxidanylidene-3-(phenylmethyl)butanoic acid 4-Ethoxy-4-oxo-3-(phenylmethyl)butanoic acid
Wiley ID 1238108