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3-(alpha-Anilinobenzylidene)-1,4-diphenyl-1,2,4-butanetrione

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(alpha-Anilinobenzylidene)-1,4-diphenyl-1,2,4-butanetrione
SpectraBase Compound ID 8QnFTQPdcDe
InChI InChI=1S/C29H21NO3/c31-27(22-15-7-2-8-16-22)25(29(33)28(32)23-17-9-3-10-18-23)26(21-13-5-1-6-14-21)30-24-19-11-4-12-20-24/h1-20,30H
InChIKey JXRBNHWDOIDWBZ-UHFFFAOYSA-N
Mol Weight 431.49 g/mol
Molecular Formula C29H21NO3
Exact Mass 431.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIvmiD4aklj
Name 3-(alpha-Anilinobenzylidene)-1,4-diphenyl-1,2,4-butanetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.152143537 u
Formula C29H21NO3
InChI InChI=1S/C29H21NO3/c31-27(22-15-7-2-8-16-22)25(29(33)28(32)23-17-9-3-10-18-23)26(21-13-5-1-6-14-21)30-24-19-11-4-12-20-24/h1-20,30H
InChIKey JXRBNHWDOIDWBZ-UHFFFAOYSA-N
Molecular Weight 431.491 g/mol
SMILES N(C(=C(C(=O)C=1C=CC=CC1)C(C(C=1C=CC=CC1)=O)=O)C=1C=CC=CC1)C=1C=CC=CC1