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Benzamide, 3-bromo-N-benzyl-N-undecyl-

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

Benzamide, 3-bromo-N-benzyl-N-undecyl-
SpectraBase Compound ID HH0Y639Cw9C
InChI InChI=1S/C25H34BrNO/c1-2-3-4-5-6-7-8-9-13-19-27(21-22-15-11-10-12-16-22)25(28)23-17-14-18-24(26)20-23/h10-12,14-18,20H,2-9,13,19,21H2,1H3
InChIKey WFLHUZOEMPCIKB-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H34BrNO
Exact Mass 443.182378 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DQjLGKkdQtA
Name Benzamide, 3-bromo-N-benzyl-N-undecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.182377718 u
Formula C25H34BrNO
InChI InChI=1S/C25H34BrNO/c1-2-3-4-5-6-7-8-9-13-19-27(21-22-15-11-10-12-16-22)25(28)23-17-14-18-24(26)20-23/h10-12,14-18,20H,2-9,13,19,21H2,1H3
InChIKey WFLHUZOEMPCIKB-UHFFFAOYSA-N
Molecular Weight 444.457 g/mol
SMILES C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C=C(C=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90598