| SpectraBase Spectrum ID |
Auuzw3ewYdS |
| Name |
Ethyl .alpha.-fluoro-3-trifluoromethyi-cinnamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.061692212 u |
| Formula |
C12H10F4O2 |
| InChI |
InChI=1S/C12H10F4O2/c1-2-18-11(17)10(13)7-8-4-3-5-9(6-8)12(14,15)16/h3-7H,2H2,1H3/b10-7- |
| InChIKey |
FEXPKRWJZITTAX-YFHOEESVSA-N |
| Molecular Weight |
262.204 g/mol |
| SMILES |
C1=C(C=CC=C1C(F)(F)F)\C=C\(C(OCC)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964993 |
