| SpectraBase Spectrum ID |
2BRF1gqaZSR |
| Name |
Isovaleramide, 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 |
255.256214686 u |
| Formula |
C16H33NO |
| InChI |
InChI=1S/C16H33NO/c1-6-8-9-10-12-17(15(5)11-7-2)16(18)13-14(3)4/h14-15H,6-13H2,1-5H3 |
| InChIKey |
LEZKJFCPRKXLDP-UHFFFAOYSA-N |
| Molecular Weight |
255.446 g/mol |
| SMILES |
C(N(CCCCCC)C(CCC)C)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979134 |
