| SpectraBase Spectrum ID |
8BWeu3NYdCK |
| Name |
Benzamide, 2-bromo-N-(2-pentyl)-N-isobutyl- |
| 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/c1-5-8-13(4)18(11-12(2)3)16(19)14-9-6-7-10-15(14)17/h6-7,9-10,12-13H,5,8,11H2,1-4H3 |
| InChIKey |
MJJHJRATNNTLMK-UHFFFAOYSA-N |
| Molecular Weight |
326.278 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923882 |
