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Benzamide, 3-bromo-N-(2-butyl)-N-undecyl-

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

Benzamide, 3-bromo-N-(2-butyl)-N-undecyl-
SpectraBase Compound ID KDSc51cOI0D
InChI InChI=1S/C22H36BrNO/c1-4-6-7-8-9-10-11-12-13-17-24(19(3)5-2)22(25)20-15-14-16-21(23)18-20/h14-16,18-19H,4-13,17H2,1-3H3
InChIKey WVXUSZJXKWDCJU-UHFFFAOYSA-N
Mol Weight 410.4 g/mol
Molecular Formula C22H36BrNO
Exact Mass 409.198028 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B0V5M7fOtgg
Name Benzamide, 3-bromo-N-(2-butyl)-N-undecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.198027782 u
Formula C22H36BrNO
InChI InChI=1S/C22H36BrNO/c1-4-6-7-8-9-10-11-12-13-17-24(19(3)5-2)22(25)20-15-14-16-21(23)18-20/h14-16,18-19H,4-13,17H2,1-3H3
InChIKey WVXUSZJXKWDCJU-UHFFFAOYSA-N
Molecular Weight 410.440 g/mol
SMILES C1=CC=C(C=C1C(N(CCCCCCCCCCC)C(CC)C)=O)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91424