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Benzeneacetic acid, .alpha.-(2-methyl-4-oxo-1-phenyl-2-pentenylidene)-, methyl ester
SpectraBase Compound ID 7rOFZnsHYnF
InChI InChI=1S/C21H20O3/c1-15(14-16(2)22)19(17-10-6-4-7-11-17)20(21(23)24-3)18-12-8-5-9-13-18/h4-14H,1-3H3/b15-14+,20-19+
InChIKey PMWKCSIBZUMFAF-GQAAWUEQSA-N
Mol Weight 320.39 g/mol
Molecular Formula C21H20O3
Exact Mass 320.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKaRehNJkMl
Name Benzeneacetic acid, .alpha.-(2-methyl-4-oxo-1-phenyl-2-pentenylidene)-, methyl ester
Alternate Name(s) Methyl (2E,4E)-4-methyl-6-oxo-2,3-diphenyl-2,4-heptadienoate Methyl ester of 4-methyl-6-oxo-2,3-diphenylhepta-2,4-dienoic acid
CAS Registry Number 69425-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O3
InChI InChI=1S/C21H20O3/c1-15(14-16(2)22)19(17-10-6-4-7-11-17)20(21(23)24-3)18-12-8-5-9-13-18/h4-14H,1-3H3/b15-14+,20-19+
InChIKey PMWKCSIBZUMFAF-GQAAWUEQSA-N
Molecular Weight 320.388 g/mol
SMILES C(\C=C\(\C(=C/(C(=O)OC)c1ccccc1)c1ccccc1)C)(=O)C
SPLASH splash10-03di-0090000000-fb32877bdc3ad68a594f
Source of Spectrum H-61-3024-0
Wiley ID 1320504