| SpectraBase Compound ID | 7eRXb4CQlcG |
|---|---|
| InChI | InChI=1S/C15H10F4O2/c1-9-4-2-5-10(8-9)21-14(20)11-6-3-7-12(13(11)16)15(17,18)19/h2-8H,1H3 |
| InChIKey | TZNAAUIZNZOHCX-UHFFFAOYSA-N |
| Mol Weight | 298.24 g/mol |
| Molecular Formula | C15H10F4O2 |
| Exact Mass | 298.061692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYvzL7ATgmB |
|---|---|
| Name | 2-Fluoro-3-trifluoromethylbenzoic acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.061692212 u |
| Formula | C15H10F4O2 |
| InChI | InChI=1S/C15H10F4O2/c1-9-4-2-5-10(8-9)21-14(20)11-6-3-7-12(13(11)16)15(17,18)19/h2-8H,1H3 |
| InChIKey | TZNAAUIZNZOHCX-UHFFFAOYSA-N |
| Molecular Weight | 298.237 g/mol |
| SMILES | CC1=CC=CC(=C1)OC(C1=C(C(=CC=C1)C(F)(F)F)F)=O |