| SpectraBase Spectrum ID |
CBL59f6TzrH |
| Name |
Valeramide, 2-methyl-N-(2-pentyl)-N-octadecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.459665523 u |
| Formula |
C29H59NO |
| InChI |
InChI=1S/C29H59NO/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(28(5)25-8-3)29(31)27(4)24-7-2/h27-28H,6-26H2,1-5H3 |
| InChIKey |
SHEKLOHCBBFGRM-UHFFFAOYSA-N |
| Molecular Weight |
437.797 g/mol |
| SMILES |
C(N(CCCCCCCCCCCCCCCCCC)C(CCC)C)(=O)C(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921723 |
