| SpectraBase Spectrum ID |
4T5FIAp1nt2 |
| Name |
Benzamide, 4-butyl-N-allyl-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.240564621 u |
| Formula |
C20H31NO |
| InChI |
InChI=1S/C20H31NO/c1-4-7-9-10-17-21(16-6-3)20(22)19-14-12-18(13-15-19)11-8-5-2/h6,12-15H,3-5,7-11,16-17H2,1-2H3 |
| InChIKey |
LJZPMSGBGVGISG-UHFFFAOYSA-N |
| SMILES |
C(N(CCCCCC)CC=C)(=O)C=1C=CC(=CC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967928 |
