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2-Benzoyl-2-methyl-1,4,4-triphenyl-3-azabut-3-en-1-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Benzoyl-2-methyl-1,4,4-triphenyl-3-azabut-3-en-1-one
SpectraBase Compound ID HSaldxDcGve
InChI InChI=1S/C29H23NO2/c1-29(27(31)24-18-10-4-11-19-24,28(32)25-20-12-5-13-21-25)30-26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-21H,1H3
InChIKey RLKXKWMQIVTGPW-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C29H23NO2
Exact Mass 417.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7hOLc4UiOue
Name 2-Benzoyl-2-methyl-1,4,4-triphenyl-3-azabut-3-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.172878983 u
Formula C29H23NO2
InChI InChI=1S/C29H23NO2/c1-29(27(31)24-18-10-4-11-19-24,28(32)25-20-12-5-13-21-25)30-26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-21H,1H3
InChIKey RLKXKWMQIVTGPW-UHFFFAOYSA-N
Molecular Weight 417.508 g/mol
SMILES C(N=C(C=1C=CC=CC1)C=1C=CC=CC1)(C(=O)C=1C=CC=CC1)(C(=O)C=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897047