| SpectraBase Compound ID | CtIou6vy5BP |
|---|---|
| InChI | InChI=1S/C20H13F3O2/c21-20(22,23)16-12-10-15(11-13-16)19(24)25-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H |
| InChIKey | JIDKTWFZMPTSBY-UHFFFAOYSA-N |
| Mol Weight | 342.32 g/mol |
| Molecular Formula | C20H13F3O2 |
| Exact Mass | 342.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gfqyXUxuBF |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 2-biphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.086764146 u |
| Formula | C20H13F3O2 |
| InChI | InChI=1S/C20H13F3O2/c21-20(22,23)16-12-10-15(11-13-16)19(24)25-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H |
| InChIKey | JIDKTWFZMPTSBY-UHFFFAOYSA-N |
| Molecular Weight | 342.317 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(C=1C=CC(C(F)(F)F)=CC1)=O)C1=CC=CC=C1 |