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Benzamide, 3-bromo-N-butyl-N-hept-2-yl-

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

Benzamide, 3-bromo-N-butyl-N-hept-2-yl-
SpectraBase Compound ID GwEkQDctikz
InChI InChI=1S/C18H28BrNO/c1-4-6-8-10-15(3)20(13-7-5-2)18(21)16-11-9-12-17(19)14-16/h9,11-12,14-15H,4-8,10,13H2,1-3H3
InChIKey WGMKDCCHRKALCD-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 K5eKf3jrfQk
Name Benzamide, 3-bromo-N-butyl-N-hept-2-yl-
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/c1-4-6-8-10-15(3)20(13-7-5-2)18(21)16-11-9-12-17(19)14-16/h9,11-12,14-15H,4-8,10,13H2,1-3H3
InChIKey WGMKDCCHRKALCD-UHFFFAOYSA-N
Molecular Weight 354.332 g/mol
SMILES C1=C(C=CC=C1Br)C(N(C(CCCCC)C)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943981