| SpectraBase Spectrum ID |
DC0NbmHpJAj |
| Name |
18-Fluoro-octadec-9,12-dienoic acid, pyrrolidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.293743010 u |
| Formula |
C22H38FNO |
| InChI |
InChI=1S/C22H38FNO/c23-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22(25)24-20-16-17-21-24/h1-2,5,7H,3-4,6,8-21H2/b2-1-,7-5- |
| InChIKey |
DHMWQGMMIBSJDJ-PQZOIKATSA-N |
| Molecular Weight |
351.550 g/mol |
| SMILES |
C1N(CCC1)C(CCCCCCC\C=C/C\C=C/CCCCCF)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910477 |
