| SpectraBase Spectrum ID |
LUjhI5Cqa3r |
| Name |
Benzamide, 2-bromo-N-(2-pentyl)-N-butyl- |
| 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/c1-4-6-12-18(13(3)9-5-2)16(19)14-10-7-8-11-15(14)17/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
| InChIKey |
WGAFHYWAXTWCLI-UHFFFAOYSA-N |
| Molecular Weight |
326.278 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955988 |
