| SpectraBase Spectrum ID |
EBcA0IER7uS |
| Name |
Benzamide, 2-bromo-N-(2-pentyl)-N-nonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.182377718 u |
| Formula |
C21H34BrNO |
| InChI |
InChI=1S/C21H34BrNO/c1-4-6-7-8-9-10-13-17-23(18(3)14-5-2)21(24)19-15-11-12-16-20(19)22/h11-12,15-16,18H,4-10,13-14,17H2,1-3H3 |
| InChIKey |
FNSVNBQTDBLOJL-UHFFFAOYSA-N |
| Molecular Weight |
396.413 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824616 |