| SpectraBase Compound ID | 8GGg3wGs9hQ |
|---|---|
| InChI | InChI=1S/C15H11F3O2/c16-15(17,18)10-20-14(19)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | RWDXEBFLKLWGJE-UHFFFAOYSA-N |
| Mol Weight | 280.25 g/mol |
| Molecular Formula | C15H11F3O2 |
| Exact Mass | 280.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYzk9WxqWh4 |
|---|---|
| Name | Biphenyl-2-carboxylic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.071114081 u |
| Formula | C15H11F3O2 |
| InChI | InChI=1S/C15H11F3O2/c16-15(17,18)10-20-14(19)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | RWDXEBFLKLWGJE-UHFFFAOYSA-N |
| Molecular Weight | 280.246 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OCC(F)(F)F)C1=CC=CC=C1 |