| SpectraBase Spectrum ID |
13K67Hd2F7M |
| Name |
oct-3-Enoylamide, 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 |
323.318814943 u |
| Formula |
C21H41NO |
| InChI |
InChI=1S/C21H41NO/c1-6-10-12-13-14-17-21(23)22(19(5)15-8-3)18-20(9-4)16-11-7-2/h13-14,19-20H,6-12,15-18H2,1-5H3/b14-13+ |
| InChIKey |
ZQYXTKCSTJHQRK-BUHFOSPRSA-N |
| Molecular Weight |
323.565 g/mol |
| SMILES |
CCCC(N(C(=O)C\C=C\CCCC)CC(CCCC)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970981 |
