| SpectraBase Spectrum ID |
3JuygsjfJO0 |
| Name |
Hept-2-enoylamide, N-benzyl-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.271864750 u |
| Formula |
C22H35NO |
| InChI |
InChI=1S/C22H35NO/c1-4-7-9-13-17-22(24)23(18-20(6-3)14-8-5-2)19-21-15-11-10-12-16-21/h10-13,15-17,20H,4-9,14,18-19H2,1-3H3/b17-13+ |
| InChIKey |
VMEAUXLYXCROHT-GHRIWEEISA-N |
| Molecular Weight |
329.528 g/mol |
| SMILES |
C(N(CC(CCCC)CC)CC1=CC=CC=C1)(=O)\C=C\CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900388 |
