| SpectraBase Spectrum ID |
CZWWRZO9Bvl |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.042848474 u |
| Formula |
C15H8F6O2 |
| InChI |
InChI=1S/C15H8F6O2/c16-14(17,18)9-6-7-12(15(19,20)21)11(8-9)13(22)23-10-4-2-1-3-5-10/h1-8H |
| InChIKey |
LGJLJNQWHFIDAU-UHFFFAOYSA-N |
| Molecular Weight |
334.217 g/mol |
| SMILES |
C1=C(C(=CC=C1C(F)(F)F)C(F)(F)F)C(=O)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926625 |
