| SpectraBase Spectrum ID |
Ex0BZhKWptU |
| Name |
11-Octadecadienoic acid, pyrrolidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.303164879 u |
| Formula |
C22H39NO |
| InChI |
InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h7-8,11-12H,2-6,9-10,13-21H2,1H3/b8-7-,12-11- |
| InChIKey |
DLFSGKDLHNJEPK-MQEUWQHPSA-N |
| Molecular Weight |
333.560 g/mol |
| SMILES |
C(N1CCCC1)(CCCCC\C=C/CC\C=C/CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980244 |
