| SpectraBase Spectrum ID |
KfB6Db9i88i |
| Name |
Benzamide, 2-bromo-N-(2-pentyl)-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.213677847 u |
| Formula |
C23H38BrNO |
| InChI |
InChI=1S/C23H38BrNO/c1-4-6-7-8-9-10-11-12-15-19-25(20(3)16-5-2)23(26)21-17-13-14-18-22(21)24/h13-14,17-18,20H,4-12,15-16,19H2,1-3H3 |
| InChIKey |
CUKHEUXONVYEGE-UHFFFAOYSA-N |
| Molecular Weight |
424.467 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886971 |
