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4-Benzoyl-2,3-diphenyl-2-phenacylbutyronitrile

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

4-Benzoyl-2,3-diphenyl-2-phenacylbutyronitrile
SpectraBase Compound ID 5Z9klS2cUSM
InChI InChI=1S/C31H25NO2/c32-23-31(27-19-11-4-12-20-27,22-30(34)26-17-9-3-10-18-26)28(24-13-5-1-6-14-24)21-29(33)25-15-7-2-8-16-25/h1-20,28H,21-22H2
InChIKey PIEJWRLZYPMBCK-UHFFFAOYSA-N
Mol Weight 443.55 g/mol
Molecular Formula C31H25NO2
Exact Mass 443.188529 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AkFLctJZEMh
Name 4-Benzoyl-2,3-diphenyl-2-phenacylbutyronitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.188529047 u
Formula C31H25NO2
InChI InChI=1S/C31H25NO2/c32-23-31(27-19-11-4-12-20-27,22-30(34)26-17-9-3-10-18-26)28(24-13-5-1-6-14-24)21-29(33)25-15-7-2-8-16-25/h1-20,28H,21-22H2
InChIKey PIEJWRLZYPMBCK-UHFFFAOYSA-N
Molecular Weight 443.546 g/mol
SMILES C(#N)C(C(CC(C=1C=CC=CC1)=O)C=1C=CC=CC1)(C=1C=CC=CC1)CC(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.995083