| SpectraBase Spectrum ID |
19cNa587lqi |
| Name |
2-Fluoro-5-(trifluoromethoxy)benzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.025306702 u |
| Formula |
C9H6F4O3 |
| InChI |
InChI=1S/C9H6F4O3/c1-15-8(14)6-4-5(2-3-7(6)10)16-9(11,12)13/h2-4H,1H3 |
| InChIKey |
CZZFOTDRIBMDHG-UHFFFAOYSA-N |
| Molecular Weight |
238.138 g/mol |
| SMILES |
C(F)(F)(F)OC1=CC(=C(C=C1)F)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819427 |
