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4-(Ethoxycarbonyl)-2-(2-phenyl-1-ethenyl)cyclohepta-2,4,6-triene-1-one
SpectraBase Compound ID DO1YPOtcztg
InChI InChI=1S/C18H16O3/c1-2-21-18(20)16-9-6-10-17(19)15(13-16)12-11-14-7-4-3-5-8-14/h3-13H,2H2,1H3/b12-11+
InChIKey KHYHJVWVABBEFP-VAWYXSNFSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qTZFn32Kua
Name 4-(Ethoxycarbonyl)-2-(2-phenyl-1-ethenyl)cyclohepta-2,4,6-triene-1-one
CAS Registry Number 136175-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-2-21-18(20)16-9-6-10-17(19)15(13-16)12-11-14-7-4-3-5-8-14/h3-13H,2H2,1H3/b12-11+
InChIKey KHYHJVWVABBEFP-VAWYXSNFSA-N
Molecular Weight 280.323 g/mol
SMILES C1(=CC(C(=O)OCC)=CC=CC1=O)\C=C\c1ccccc1
SPLASH splash10-0006-9370000000-35297e04825a03983981
Source of Spectrum J-56-6446-5
Synonyms Ethyl 5-oxo-6-[(E)-2-phenylethenyl]-1,3,6-cycloheptatriene-1-carboxylate
Wiley ID 1284279