| SpectraBase Spectrum ID |
3oiev5uIShS |
| Name |
9-Octadecenoic acid, 2,2,2-trifluoroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.258914854 u |
| Formula |
C20H35F3O2 |
| InChI |
InChI=1S/C20H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)25-18-20(21,22)23/h9-10H,2-8,11-18H2,1H3/b10-9+ |
| InChIKey |
WSMZECZWBYFZEY-MDZDMXLPSA-N |
| Molecular Weight |
364.493 g/mol |
| SMILES |
CCCCCCCC\C=C\CCCCCCCC(=O)OCC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921301 |
