| SpectraBase Spectrum ID |
DN7DbeI9sPm |
| Name |
Pent-4-enoylamide, 2-methyl-N-benzyl-N-heptyl- |
| 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/c1-4-6-7-8-12-16-21(20(22)18(3)13-5-2)17-19-14-10-9-11-15-19/h5,9-11,14-15,18H,2,4,6-8,12-13,16-17H2,1,3H3 |
| InChIKey |
ZUMJOFAQXNYCCX-UHFFFAOYSA-N |
| SMILES |
C(N(CCCCCCC)CC1=CC=CC=C1)(=O)C(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930167 |
