SpectraBase Spectrum ID |
1MlbahAyHda |
Name |
Benzamide, 4-bromo-N-methyl-N-nonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
339.119777460 u |
Formula |
C17H26BrNO |
InChI |
InChI=1S/C17H26BrNO/c1-3-4-5-6-7-8-9-14-19(2)17(20)15-10-12-16(18)13-11-15/h10-13H,3-9,14H2,1-2H3 |
InChIKey |
FAKWPWROZQYNFZ-UHFFFAOYSA-N |
Molecular Weight |
340.305 g/mol |
SMILES |
C1=CC(=CC=C1C(N(C)CCCCCCCCC)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893283 |