| SpectraBase Compound ID | CP6tdRwIQx7 |
|---|---|
| InChI | InChI=1S/C15H11F3O2/c1-10-4-2-7-13(8-10)20-14(19)11-5-3-6-12(9-11)15(16,17)18/h2-9H,1H3 |
| InChIKey | RLXDEQCMJWEQDP-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 | ItSzTU70QCh |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 3-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/c1-10-4-2-7-13(8-10)20-14(19)11-5-3-6-12(9-11)15(16,17)18/h2-9H,1H3 |
| InChIKey | RLXDEQCMJWEQDP-UHFFFAOYSA-N |
| Molecular Weight | 280.246 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC1=CC(C)=CC=C1)=O)C(F)(F)F |