| SpectraBase Spectrum ID |
6YKqghCSKVd |
| Name |
Hexanamide, 2-bromo-N-(2-pentyl)-N-tetradecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.307578233 u |
| Formula |
C25H50BrNO |
| InChI |
InChI=1S/C25H50BrNO/c1-5-8-10-11-12-13-14-15-16-17-18-19-22-27(23(4)20-7-3)25(28)24(26)21-9-6-2/h23-24H,5-22H2,1-4H3 |
| InChIKey |
ZZTOGDCGWBJVAW-UHFFFAOYSA-N |
| Molecular Weight |
460.585 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C(CCCC)Br)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921284 |
