| SpectraBase Spectrum ID |
FvdZlHlAcfe |
| Name |
alpha,alpha,alpha-Trifluoro-m-toluic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.055464017 u |
| Formula |
C10H9F3O2 |
| InChI |
InChI=1S/C10H9F3O2/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,2H2,1H3 |
| InChIKey |
MHNBTKIAHHECCQ-UHFFFAOYSA-N |
| Molecular Weight |
218.175 g/mol |
| SMILES |
C(F)(F)(F)C=1C=CC=C(C1)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.953918 |
