| SpectraBase Spectrum ID |
4xImMEG4un2 |
| Name |
Benzamide, 2-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/c1-5-8-12-17(7-3)15-22(16(4)11-6-2)20(23)18-13-9-10-14-19(18)21/h9-10,13-14,16-17H,5-8,11-12,15H2,1-4H3 |
| InChIKey |
HVDOFOJYSBNMMQ-UHFFFAOYSA-N |
| Molecular Weight |
382.386 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)C(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896987 |
