| SpectraBase Compound ID | 9dxeGvyEG3J |
|---|---|
| InChI | InChI=1S/C16H13F3O2/c17-16(18,19)14-8-4-7-13(11-14)15(20)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2 |
| InChIKey | MUNWGXLJXJWXEV-UHFFFAOYSA-N |
| Mol Weight | 294.27 g/mol |
| Molecular Formula | C16H13F3O2 |
| Exact Mass | 294.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Li1jJOR1UqS |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.086764146 u |
| Formula | C16H13F3O2 |
| InChI | InChI=1S/C16H13F3O2/c17-16(18,19)14-8-4-7-13(11-14)15(20)21-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2 |
| InChIKey | MUNWGXLJXJWXEV-UHFFFAOYSA-N |
| Molecular Weight | 294.273 g/mol |
| SMILES | C1(=CC=CC=C1)CCOC(C=1C=CC=C(C(F)(F)F)C1)=O |