| SpectraBase Spectrum ID |
7MjYi2M8GSU |
| Name |
Ethyl (2Z/E)-2-(trifluoromethyl)-2,4-pentadienoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.055464017 u |
| Formula |
C8H9F3O2 |
| InChI |
InChI=1S/C8H9F3O2/c1-3-5-6(8(9,10)11)7(12)13-4-2/h3,5H,1,4H2,2H3/b6-5- |
| InChIKey |
LEKPTEMJBQLAIU-WAYWQWQTSA-N |
| Molecular Weight |
194.153 g/mol |
| SMILES |
C(\C(C(=O)OCC)=C/C=C)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899849 |
