| SpectraBase Compound ID | 2mODFvqxKm9 |
|---|---|
| InChI | InChI=1S/C14H7F5O2/c15-8-3-1-4-9(7-8)21-13(20)12-10(14(17,18)19)5-2-6-11(12)16/h1-7H |
| InChIKey | ZURLLWOTCBBJQS-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C14H7F5O2 |
| Exact Mass | 302.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86fYZVliGtM |
|---|---|
| Name | 6-Fluoro-2-trifluoromethylbenzoic acid, 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.036620278 u |
| Formula | C14H7F5O2 |
| InChI | InChI=1S/C14H7F5O2/c15-8-3-1-4-9(7-8)21-13(20)12-10(14(17,18)19)5-2-6-11(12)16/h1-7H |
| InChIKey | ZURLLWOTCBBJQS-UHFFFAOYSA-N |
| Molecular Weight | 302.200 g/mol |
| SMILES | C(C1=C(C=CC=C1F)C(F)(F)F)(=O)OC1=CC=CC(=C1)F |