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3-(4-Bromobenzoyl)-2-(3,4-dimethylphenyl)-N-benzylpropionamide

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

3-(4-Bromobenzoyl)-2-(3,4-dimethylphenyl)-N-benzylpropionamide
SpectraBase Compound ID 4S2QfsvHJHe
InChI InChI=1S/C25H24BrNO2/c1-17-8-9-21(14-18(17)2)23(15-24(28)20-10-12-22(26)13-11-20)25(29)27-16-19-6-4-3-5-7-19/h3-14,23H,15-16H2,1-2H3,(H,27,29)
InChIKey HXZIMEAFZFVANE-UHFFFAOYSA-N
Mol Weight 450.38 g/mol
Molecular Formula C25H24BrNO2
Exact Mass 449.099042 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9EHCxbvWWAG
Name 3-(4-Bromobenzoyl)-2-(3,4-dimethylphenyl)-N-benzylpropionamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.099042015 u
Formula C25H24BrNO2
InChI InChI=1S/C25H24BrNO2/c1-17-8-9-21(14-18(17)2)23(15-24(28)20-10-12-22(26)13-11-20)25(29)27-16-19-6-4-3-5-7-19/h3-14,23H,15-16H2,1-2H3,(H,27,29)
InChIKey HXZIMEAFZFVANE-UHFFFAOYSA-N
Molecular Weight 450.376 g/mol
SMILES C1=CC(=CC=C1Br)C(=O)CC(C(=O)NCC1=CC=CC=C1)C1=CC=C(C(=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86202