| SpectraBase Spectrum ID |
7toi84qtXXX |
| Name |
Hept-2-enoylamide, N-benzyl-N-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.193614428 u |
| Formula |
C17H25NO |
| InChI |
InChI=1S/C17H25NO/c1-3-5-6-10-13-17(19)18(14-4-2)15-16-11-8-7-9-12-16/h7-13H,3-6,14-15H2,1-2H3/b13-10+ |
| InChIKey |
YRIMJBYKXIMPSS-JLHYYAGUSA-N |
| Molecular Weight |
259.393 g/mol |
| SMILES |
C(N(CCC)CC1=CC=CC=C1)(=O)\C=C\CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815468 |
