| SpectraBase Spectrum ID |
1rQaqz4TtL7 |
| Name |
3-Fluoro-5-trifluoromethylbenzoic acid, 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.036620278 u |
| Formula |
C14H7F5O2 |
| InChI |
InChI=1S/C14H7F5O2/c15-10-2-1-3-12(7-10)21-13(20)8-4-9(14(17,18)19)6-11(16)5-8/h1-7H |
| InChIKey |
WVCHRWJHDOUUDT-UHFFFAOYSA-N |
| Molecular Weight |
302.200 g/mol |
| SMILES |
C1=C(C=C(C=C1C(F)(F)F)F)C(=O)OC1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89026 |
