| SpectraBase Compound ID | 3OLW7QCitWN |
|---|---|
| InChI | InChI=1S/C15H11F3O2/c1-10-5-2-3-8-13(10)20-14(19)11-6-4-7-12(9-11)15(16,17)18/h2-9H,1H3 |
| InChIKey | QCNWTYLDMGJHMZ-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 | HUg4d5oyKRq |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 2-methylphenyl 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/c1-10-5-2-3-8-13(10)20-14(19)11-6-4-7-12(9-11)15(16,17)18/h2-9H,1H3 |
| InChIKey | QCNWTYLDMGJHMZ-UHFFFAOYSA-N |
| Molecular Weight | 280.246 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC1=CC=CC=C1C)=O)C(F)(F)F |