| SpectraBase Compound ID | JNQUqcIy3vX |
|---|---|
| InChI | InChI=1S/C14H8F4O2/c15-12-10(7-4-8-11(12)14(16,17)18)13(19)20-9-5-2-1-3-6-9/h1-8H |
| InChIKey | BEPJRUNQOXOSDF-UHFFFAOYSA-N |
| Mol Weight | 284.21 g/mol |
| Molecular Formula | C14H8F4O2 |
| Exact Mass | 284.046042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JjdWNWGawl |
|---|---|
| Name | 2-Fluoro-3-trifluoromethylbenzoic acid, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.046042148 u |
| Formula | C14H8F4O2 |
| InChI | InChI=1S/C14H8F4O2/c15-12-10(7-4-8-11(12)14(16,17)18)13(19)20-9-5-2-1-3-6-9/h1-8H |
| InChIKey | BEPJRUNQOXOSDF-UHFFFAOYSA-N |
| Molecular Weight | 284.210 g/mol |
| SMILES | C1=CC=C(C=C1)OC(C1=C(C(=CC=C1)C(F)(F)F)F)=O |