| SpectraBase Spectrum ID |
Lo45lzIfquw |
| Name |
3-Fluoro-5-trifluoromethylbenzoic acid, 3-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.061692212 u |
| Formula |
C15H10F4O2 |
| InChI |
InChI=1S/C15H10F4O2/c1-9-3-2-4-13(5-9)21-14(20)10-6-11(15(17,18)19)8-12(16)7-10/h2-8H,1H3 |
| InChIKey |
VXAVHZXPDYAZMH-UHFFFAOYSA-N |
| Molecular Weight |
298.237 g/mol |
| SMILES |
C1(=CC(=CC(=C1)F)C(=O)OC1=CC(C)=CC=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930753 |
