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5-Benzoyl-4-(p-methoxyphenyl)-6-oxo-2-phenyl-1-cyclohexene-1-carbonitrile

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5-Benzoyl-4-(p-methoxyphenyl)-6-oxo-2-phenyl-1-cyclohexene-1-carbonitrile
SpectraBase Compound ID 1Q7LmqdkMpi
InChI InChI=1S/C27H21NO3/c1-31-21-14-12-19(13-15-21)23-16-22(18-8-4-2-5-9-18)24(17-28)27(30)25(23)26(29)20-10-6-3-7-11-20/h2-15,23,25H,16H2,1H3
InChIKey ZKMAEMWRXOFJJS-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C27H21NO3
Exact Mass 407.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WTUKEWH2EW
Name 5-Benzoyl-4-(p-methoxyphenyl)-6-oxo-2-phenyl-1-cyclohexene-1-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.152143537 u
Formula C27H21NO3
InChI InChI=1S/C27H21NO3/c1-31-21-14-12-19(13-15-21)23-16-22(18-8-4-2-5-9-18)24(17-28)27(30)25(23)26(29)20-10-6-3-7-11-20/h2-15,23,25H,16H2,1H3
InChIKey ZKMAEMWRXOFJJS-UHFFFAOYSA-N
Molecular Weight 407.469 g/mol
SMILES C1C(=C(C(C(C1C=1C=CC(=CC1)OC)C(C=1C=CC=CC1)=O)=O)C#N)C=1C=CC=CC1