| SpectraBase Spectrum ID |
5LPLMAsuI2z |
| Name |
Hept-4-enoylamide, N-propyl-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.240564621 u |
| Formula |
C16H31NO |
| InChI |
InChI=1S/C16H31NO/c1-4-7-9-11-13-16(18)17(14-6-3)15-12-10-8-5-2/h7,9H,4-6,8,10-15H2,1-3H3/b9-7+ |
| InChIKey |
KRKYFUUMKQKPHY-VQHVLOKHSA-N |
| Molecular Weight |
253.430 g/mol |
| SMILES |
C(\C=C\CCC(N(CCCCCC)CCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979936 |
