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Benzamide, 2-bromo-N-(2-pentyl)-N-nonyl-

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

Benzamide, 2-bromo-N-(2-pentyl)-N-nonyl-
SpectraBase Compound ID LOEOfMQ5pLe
InChI InChI=1S/C21H34BrNO/c1-4-6-7-8-9-10-13-17-23(18(3)14-5-2)21(24)19-15-11-12-16-20(19)22/h11-12,15-16,18H,4-10,13-14,17H2,1-3H3
InChIKey FNSVNBQTDBLOJL-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C21H34BrNO
Exact Mass 395.182378 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EBcA0IER7uS
Name Benzamide, 2-bromo-N-(2-pentyl)-N-nonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.182377718 u
Formula C21H34BrNO
InChI InChI=1S/C21H34BrNO/c1-4-6-7-8-9-10-13-17-23(18(3)14-5-2)21(24)19-15-11-12-16-20(19)22/h11-12,15-16,18H,4-10,13-14,17H2,1-3H3
InChIKey FNSVNBQTDBLOJL-UHFFFAOYSA-N
Molecular Weight 396.413 g/mol
SMILES C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824616