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6-Methoxy-4-(.alpha.-cyanobenzylidene)-3,5-diphenylcyclohepta-2,6-dien-1-one isomer
SpectraBase Compound ID GOWJ9BOc1WK
InChI InChI=1S/C28H21NO2/c1-31-26-18-23(30)17-24(20-11-5-2-6-12-20)28(27(26)22-15-9-4-10-16-22)25(19-29)21-13-7-3-8-14-21/h2-18,27H,1H3/b28-25+
InChIKey DRHWZTPVWODBOU-AZPGRJICSA-N
Mol Weight 403.48 g/mol
Molecular Formula C28H21NO2
Exact Mass 403.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42snzguSxQf
Name 6-Methoxy-4-(.alpha.-cyanobenzylidene)-3,5-diphenylcyclohepta-2,6-dien-1-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21NO2
InChI InChI=1S/C28H21NO2/c1-31-26-18-23(30)17-24(20-11-5-2-6-12-20)28(27(26)22-15-9-4-10-16-22)25(19-29)21-13-7-3-8-14-21/h2-18,27H,1H3/b28-25+
InChIKey DRHWZTPVWODBOU-AZPGRJICSA-N
Molecular Weight 403.481 g/mol
SMILES C=1(\C(C(C(=CC(C1)=O)OC)c1ccccc1)=C\(C#N)c1ccccc1)c1ccccc1
SPLASH splash10-004i-5009100000-d68403547a8e5c316c71
Source of Spectrum SO-0-545-8
Wiley ID 1539429