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2-(4-Chlorobenzoyl)-1-phenyl-N-(4-bromophenyl)ethanamine

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

2-(4-Chlorobenzoyl)-1-phenyl-N-(4-bromophenyl)ethanamine
SpectraBase Compound ID 4M8lMbBttH9
InChI InChI=1S/C21H17BrClNO/c22-17-8-12-19(13-9-17)24-20(15-4-2-1-3-5-15)14-21(25)16-6-10-18(23)11-7-16/h1-13,20,24H,14H2
InChIKey PGTNZTQKLQVPRH-UHFFFAOYSA-N
Mol Weight 414.73 g/mol
Molecular Formula C21H17BrClNO
Exact Mass 413.018205 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3VGUtXeqYnj
Name 2-(4-Chlorobenzoyl)-1-phenyl-N-(4-bromophenyl)ethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.018204870 u
Formula C21H17BrClNO
InChI InChI=1S/C21H17BrClNO/c22-17-8-12-19(13-9-17)24-20(15-4-2-1-3-5-15)14-21(25)16-6-10-18(23)11-7-16/h1-13,20,24H,14H2
InChIKey PGTNZTQKLQVPRH-UHFFFAOYSA-N
Molecular Weight 414.730 g/mol
SMILES C(CC(C=1C=CC(=CC1)Cl)=O)(NC=1C=CC(=CC1)Br)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840248