| SpectraBase Compound ID | ENK6X1KONER |
|---|---|
| InChI | InChI=1S/C20H13F3O2/c21-20(22,23)17-12-6-4-11-16(17)19(24)25-18-13-7-5-10-15(18)14-8-2-1-3-9-14/h1-13H |
| InChIKey | NKDRVFMTZJVIST-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 | J9Wa6GQuw4b |
|---|---|
| Name | 2-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)17-12-6-4-11-16(17)19(24)25-18-13-7-5-10-15(18)14-8-2-1-3-9-14/h1-13H |
| InChIKey | NKDRVFMTZJVIST-UHFFFAOYSA-N |
| Molecular Weight | 342.317 g/mol |
| SMILES | C(C1=CC=CC=C1C(=O)OC1=CC=CC=C1C1=CC=CC=C1)(F)(F)F |