SpectraBase Spectrum ID |
IEzKtrFPWZm |
Name |
Benzamide, 2-bromo-N-nonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
325.104127396 u |
Formula |
C16H24BrNO |
InChI |
InChI=1S/C16H24BrNO/c1-2-3-4-5-6-7-10-13-18-16(19)14-11-8-9-12-15(14)17/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19) |
InChIKey |
ULBGQBJREIEMGC-UHFFFAOYSA-N |
Molecular Weight |
326.278 g/mol |
SMILES |
C1=C(C(=CC=C1)C(NCCCCCCCCC)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928953 |