| SpectraBase Spectrum ID |
2kO4asyVIxU |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, 3-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.058498538 u |
| Formula |
C16H10F6O2 |
| InChI |
InChI=1S/C16H10F6O2/c1-9-3-2-4-11(7-9)24-14(23)12-8-10(15(17,18)19)5-6-13(12)16(20,21)22/h2-8H,1H3 |
| InChIKey |
KMOKEJLRHGESTA-UHFFFAOYSA-N |
| Molecular Weight |
348.244 g/mol |
| SMILES |
C1=C(C(=CC=C1C(F)(F)F)C(F)(F)F)C(=O)OC=1C=CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965439 |
