| SpectraBase Spectrum ID |
KQUo3jNv5q0 |
| Name |
Picolinyl 16-fluoro-hexadec-7-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.257357500 u |
| Formula |
C22H34FNO2 |
| InChI |
InChI=1S/C22H34FNO2/c23-17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-22(25)26-20-21-15-14-18-24-19-21/h2,4,14-15,18-19H,1,3,5-13,16-17,20H2/b4-2- |
| InChIKey |
PIVGQEMEBIUVRA-RQOWECAXSA-N |
| Molecular Weight |
363.517 g/mol |
| SMILES |
C(CC(=O)OCC1=CC=CN=C1)CCC\C=C/CCCCCCCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916975 |
