| SpectraBase Spectrum ID |
EUwXX7W1FcB |
| Name |
Mecopror, 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 |
296.042706432 u |
| Formula |
C12H12ClF3O3 |
| InChI |
InChI=1S/C12H12ClF3O3/c1-7-5-9(13)3-4-10(7)19-8(2)11(17)18-6-12(14,15)16/h3-5,8H,6H2,1-2H3 |
| InChIKey |
ZXLCIQWCADIEFD-UHFFFAOYSA-N |
| Molecular Weight |
296.673 g/mol |
| SMILES |
C1=CC(OC(C(OCC(F)(F)F)=O)C)=C(C=C1Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907276 |
