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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 6abIFH8OBL2
Name trans-Benzyliden-acetoacetic acid ethylester
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
Literature Reference DOI 10.1002/hlca.19740570732
Molecular Weight 218.252 g/mol
SMILES c1(ccccc1)\C=C\(C(OCC)=O)C(=O)C
SPLASH splash10-0fr6-7970000000-b71c6092cc8850759564
Source of Spectrum H-57-2190-33b
Synonyms Ethyl (E)-2-benzylidene-3-oxobutanoate
Wiley ID 1797249