| SpectraBase Spectrum ID |
9g5Oa863Uge |
| Name |
5-Fluoro-2-trifluoromethylbenzoic acid, 2-ethoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.072256895 u |
| Formula |
C12H12F4O3 |
| InChI |
InChI=1S/C12H12F4O3/c1-2-18-5-6-19-11(17)9-7-8(13)3-4-10(9)12(14,15)16/h3-4,7H,2,5-6H2,1H3 |
| InChIKey |
VZILKSXURMWYLS-UHFFFAOYSA-N |
| Molecular Weight |
280.219 g/mol |
| SMILES |
C(C1=C(C=CC(=C1)F)C(F)(F)F)(OCCOCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909342 |
