| SpectraBase Spectrum ID |
ITK5yL3C6mU |
| Name |
Benzamide, 3-bromo-N-(2-pentyl)-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.135427525 u |
| Formula |
C18H28BrNO |
| InChI |
InChI=1S/C18H28BrNO/c1-4-6-7-8-13-20(15(3)10-5-2)18(21)16-11-9-12-17(19)14-16/h9,11-12,14-15H,4-8,10,13H2,1-3H3 |
| InChIKey |
FXVKOGGZORVZAB-UHFFFAOYSA-N |
| Molecular Weight |
354.332 g/mol |
| SMILES |
C(N(CCCCCC)C(CCC)C)(=O)C=1C=C(C=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961161 |
