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3-Bromobenzamide, N-(2-phenylethyl)-N-heptyl-

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

3-Bromobenzamide, N-(2-phenylethyl)-N-heptyl-
SpectraBase Compound ID ApsHKPDWXZg
InChI InChI=1S/C22H28BrNO/c1-2-3-4-5-9-16-24(17-15-19-11-7-6-8-12-19)22(25)20-13-10-14-21(23)18-20/h6-8,10-14,18H,2-5,9,15-17H2,1H3
InChIKey LMIJVEWQVXUSHD-UHFFFAOYSA-N
Mol Weight 402.38 g/mol
Molecular Formula C22H28BrNO
Exact Mass 401.135428 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BrYLoZE8kMw
Name 3-Bromobenzamide, N-(2-phenylethyl)-N-heptyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.135427525 u
Formula C22H28BrNO
InChI InChI=1S/C22H28BrNO/c1-2-3-4-5-9-16-24(17-15-19-11-7-6-8-12-19)22(25)20-13-10-14-21(23)18-20/h6-8,10-14,18H,2-5,9,15-17H2,1H3
InChIKey LMIJVEWQVXUSHD-UHFFFAOYSA-N
Molecular Weight 402.376 g/mol
SMILES C1(=CC=CC=C1)CCN(C(=O)C1=CC(=CC=C1)Br)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941542