| SpectraBase Spectrum ID |
9aFqJ1rfeJ3 |
| Name |
2,5-di(Trifluoromethyl)benzoic acid, 3,5-difluophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.024004735 u |
| Formula |
C15H6F8O2 |
| InChI |
InChI=1S/C15H6F8O2/c16-8-4-9(17)6-10(5-8)25-13(24)11-3-7(14(18,19)20)1-2-12(11)15(21,22)23/h1-6H |
| InChIKey |
MHPYEKPHFUYZRP-UHFFFAOYSA-N |
| Molecular Weight |
370.198 g/mol |
| SMILES |
C1=C(C(=CC=C1C(F)(F)F)C(F)(F)F)C(=O)OC1=CC(=CC(=C1)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844136 |
