| SpectraBase Spectrum ID |
6Eq1EyKnZ4z |
| Name |
Benzamide, 3-bromo-N-(2-pentyl)-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.166727653 u |
| Formula |
C20H32BrNO |
| InChI |
InChI=1S/C20H32BrNO/c1-5-8-11-17(7-3)15-22(16(4)10-6-2)20(23)18-12-9-13-19(21)14-18/h9,12-14,16-17H,5-8,10-11,15H2,1-4H3 |
| InChIKey |
SXUPTSYAFZJEGP-UHFFFAOYSA-N |
| Molecular Weight |
382.386 g/mol |
| SMILES |
C(N(CC(CCCC)CC)C(CCC)C)(=O)C=1C=C(C=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954223 |
