| SpectraBase Spectrum ID |
EWKLs4iDAgk |
| Name |
6-Fluoro-3-trifluoromethylbenzoic acid, 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.036620278 u |
| Formula |
C14H7F5O2 |
| InChI |
InChI=1S/C14H7F5O2/c15-9-2-1-3-10(7-9)21-13(20)11-6-8(14(17,18)19)4-5-12(11)16/h1-7H |
| InChIKey |
FBUXMQXMFIVGEF-UHFFFAOYSA-N |
| Molecular Weight |
302.200 g/mol |
| SMILES |
C(C1=C(C=CC(=C1)C(F)(F)F)F)(OC1=CC=CC(=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932705 |
