| SpectraBase Compound ID | 85CKP7sVQLG |
|---|---|
| InChI | InChI=1S/C17H15F3O2/c1-11(2)12-7-9-13(10-8-12)22-16(21)14-5-3-4-6-15(14)17(18,19)20/h3-11H,1-2H3 |
| InChIKey | QTCJLRFESZOEGE-UHFFFAOYSA-N |
| Mol Weight | 308.3 g/mol |
| Molecular Formula | C17H15F3O2 |
| Exact Mass | 308.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MEFecTUp9K |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.102414210 u |
| Formula | C17H15F3O2 |
| InChI | InChI=1S/C17H15F3O2/c1-11(2)12-7-9-13(10-8-12)22-16(21)14-5-3-4-6-15(14)17(18,19)20/h3-11H,1-2H3 |
| InChIKey | QTCJLRFESZOEGE-UHFFFAOYSA-N |
| Molecular Weight | 308.300 g/mol |
| SMILES | C(C1=CC=CC=C1C(=O)OC1=CC=C(C(C)C)C=C1)(F)(F)F |