| SpectraBase Spectrum ID |
AV73omfmIEK |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.033426604 u |
| Formula |
C15H7F7O2 |
| InChI |
InChI=1S/C15H7F7O2/c16-9-2-1-3-10(7-9)24-13(23)11-6-8(14(17,18)19)4-5-12(11)15(20,21)22/h1-7H |
| InChIKey |
LWBRNIAJKIFWCD-UHFFFAOYSA-N |
| Molecular Weight |
352.208 g/mol |
| SMILES |
C1=CC=C(C=C1F)OC(C1=C(C(F)(F)F)C=CC(=C1)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949928 |
