| SpectraBase Spectrum ID |
Gauax35l5Ol |
| Name |
5-Fluoro-3-trifluoromethylbenzoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.046042148 u |
| Formula |
C10H8F4O2 |
| InChI |
InChI=1S/C10H8F4O2/c1-2-16-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,2H2,1H3 |
| InChIKey |
AGWDBAUOWZRDKX-UHFFFAOYSA-N |
| Molecular Weight |
236.166 g/mol |
| SMILES |
C1(=CC(=CC(=C1)F)C(F)(F)F)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934926 |
