| SpectraBase Spectrum ID |
8jdxgi9aYhq |
| Name |
Hept-2-enoylamide, N-benzyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.256214686 u |
| Formula |
C21H33NO |
| InChI |
InChI=1S/C21H33NO/c1-3-5-7-9-14-18-22(19-20-15-11-10-12-16-20)21(23)17-13-8-6-4-2/h10-13,15-17H,3-9,14,18-19H2,1-2H3/b17-13+ |
| InChIKey |
XALDNKKYTWPJMY-GHRIWEEISA-N |
| Molecular Weight |
315.501 g/mol |
| SMILES |
C(N(CCCCCCC)CC1=CC=CC=C1)(=O)\C=C\CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919879 |
