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Butanoic acid, 3-oxo-2-(phenylmethylene)-, ethyl ester
SpectraBase Compound ID IqVOnDhfagB
InChI InChI=1S/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+
InChIKey AYZGINZXVVKWKV-FMIVXFBMSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHfYaZyfvcd
Name Butanoic acid, 3-oxo-2-(phenylmethylene)-, ethyl ester
Alternate Name(s) Ethyl (2E)-2-acetyl-3-phenyl-2-propenoate (2E)-3-oxo-2-(phenylmethylene)butanoic acid ethyl ester (E)-2-acetyl-3-phenyl-acrylic acid ethyl ester Cinnamic acid, .alpha.-acetyl-, ethyl ester Ethyl (2E)-2-benzylidene-3-oxo-butanoate Ethyl (2E)-3-oxidanylidene-2-(phenylmethylidene)butanoate Ethyl .alpha.-acetylcinnamate Ethyl 2-benzylideneacetoacetate
CAS Registry Number 620-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+
InChIKey AYZGINZXVVKWKV-FMIVXFBMSA-N
Molecular Weight 218.252 g/mol
SMILES C(=O)(\C(=C\c1ccccc1)C(C)=O)OCC
SPLASH splash10-00kf-9570000000-d001957052ee17de80e9
Source of Spectrum C5-2003-558-3
Wiley ID 1615532