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(E)-4,4-dimethyl-5-oxo-3-phenyl-2-pentenoic acid methyl ester
SpectraBase Compound ID Fs1aFqEitV7
InChI InChI=1S/C14H16O3/c1-14(2,10-15)12(9-13(16)17-3)11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9+
InChIKey IGPANMMQLHCRPE-FMIVXFBMSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CP4B2yzyOs0
Name (E)-4,4-dimethyl-5-oxo-3-phenyl-2-pentenoic acid methyl ester
Alternate Name(s) (E)-5-keto-4,4-dimethyl-3-phenyl-pent-2-enoic acid methyl ester Methyl (2E)-4,4-dimethyl-5-oxo-3-phenyl-2-pentenoate Methyl (E)-4,4-dimethyl-5-oxidanylidene-3-phenyl-pent-2-enoate Methyl (E)-4,4-dimethyl-5-oxo-3-phenyl-pent-2-enoate
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-14(2,10-15)12(9-13(16)17-3)11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9+
InChIKey IGPANMMQLHCRPE-FMIVXFBMSA-N
Molecular Weight 232.279 g/mol
SMILES C(\C=C\(C(C=O)(C)C)c1ccccc1)(=O)OC
SPLASH splash10-0fml-1910000000-930519b5ef998398ee78
Source of Spectrum SO-0-444-16
Wiley ID 1540022