| SpectraBase Compound ID | BzKGbOzmvqH |
|---|---|
| InChI | InChI=1S/C20H13F3O2/c21-20(22,23)17-8-4-7-16(13-17)19(24)25-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H |
| InChIKey | VMEGFSQDDXJCIY-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 | 2657yQu71Cs |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 4-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)17-8-4-7-16(13-17)19(24)25-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H |
| InChIKey | VMEGFSQDDXJCIY-UHFFFAOYSA-N |
| Molecular Weight | 342.317 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OC1=CC=C(C2=CC=CC=C2)C=C1)C(F)(F)F |