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Benzamide, 4-bromo-N-benzyl-N-(hept-2-yl)-

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

Benzamide, 4-bromo-N-benzyl-N-(hept-2-yl)-
SpectraBase Compound ID HG5rOhW8Gq7
InChI InChI=1S/C21H26BrNO/c1-3-4-6-9-17(2)23(16-18-10-7-5-8-11-18)21(24)19-12-14-20(22)15-13-19/h5,7-8,10-15,17H,3-4,6,9,16H2,1-2H3
InChIKey WKFPWRYMNWIJPG-UHFFFAOYSA-N
Mol Weight 388.35 g/mol
Molecular Formula C21H26BrNO
Exact Mass 387.119777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9yKxXfSXn2r
Name Benzamide, 4-bromo-N-benzyl-N-(hept-2-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.119777460 u
Formula C21H26BrNO
InChI InChI=1S/C21H26BrNO/c1-3-4-6-9-17(2)23(16-18-10-7-5-8-11-18)21(24)19-12-14-20(22)15-13-19/h5,7-8,10-15,17H,3-4,6,9,16H2,1-2H3
InChIKey WKFPWRYMNWIJPG-UHFFFAOYSA-N
Molecular Weight 388.349 g/mol
SMILES C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801709