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2-Phenyl-acetoacetic acid, ethyl ester
SpectraBase Compound ID HQhWcI5zhXU
InChI InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey PWRUKIPYVGHRFL-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWFoaFnvfjE
Name Ethyl 3-oxo-2-phenylbutanoate
CAS Registry Number 5413-05-8
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey PWRUKIPYVGHRFL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 206.241 g/mol
Nominal Mass 206 u
Quality 996
Retention Index 1488
SMILES C=1(C(C(OCC)=O)C(=O)C)C=CC=CC1
SPLASH splash10-03y3-4900000000-0673f2b3159367726825
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Phenylacetoacetic acid ethyl ester
Technique GC/MS
Wiley ID DD2024_024718