| SpectraBase Compound ID | ElTJataNZWX |
|---|---|
| InChI | InChI=1S/C15H11F3O2/c1-10-6-2-5-9-13(10)20-14(19)11-7-3-4-8-12(11)15(16,17)18/h2-9H,1H3 |
| InChIKey | LBWANXZXSXOKPI-UHFFFAOYSA-N |
| Mol Weight | 280.25 g/mol |
| Molecular Formula | C15H11F3O2 |
| Exact Mass | 280.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BvOIwf9WnDf |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 2-methyl 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/c1-10-6-2-5-9-13(10)20-14(19)11-7-3-4-8-12(11)15(16,17)18/h2-9H,1H3 |
| InChIKey | LBWANXZXSXOKPI-UHFFFAOYSA-N |
| Molecular Weight | 280.246 g/mol |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)C(OC1=CC=CC=C1C)=O |