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

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

Benzamide, 2-bromo-N-(2-pentyl)-N-hexyl-
SpectraBase Compound ID DiwUO0JXCnH
InChI InChI=1S/C18H28BrNO/c1-4-6-7-10-14-20(15(3)11-5-2)18(21)16-12-8-9-13-17(16)19/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3
InChIKey KVXYAWQREPJDMF-UHFFFAOYSA-N
Mol Weight 354.33 g/mol
Molecular Formula C18H28BrNO
Exact Mass 353.135428 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6NkbwLcHzTD
Name Benzamide, 2-bromo-N-(2-pentyl)-N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.135427525 u
Formula C18H28BrNO
InChI InChI=1S/C18H28BrNO/c1-4-6-7-10-14-20(15(3)11-5-2)18(21)16-12-8-9-13-17(16)19/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3
InChIKey KVXYAWQREPJDMF-UHFFFAOYSA-N
Molecular Weight 354.332 g/mol
SMILES C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944398