| SpectraBase Compound ID | 5D40rFuBgzL |
|---|---|
| InChI | InChI=1S/C11H11F3O2/c1-7(2)16-10(15)8-4-3-5-9(6-8)11(12,13)14/h3-7H,1-2H3 |
| InChIKey | PGPHLNZOSIXFHP-UHFFFAOYSA-N |
| Mol Weight | 232.2 g/mol |
| Molecular Formula | C11H11F3O2 |
| Exact Mass | 232.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNpSgGFbHPV |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.071114081 u |
| Formula | C11H11F3O2 |
| InChI | InChI=1S/C11H11F3O2/c1-7(2)16-10(15)8-4-3-5-9(6-8)11(12,13)14/h3-7H,1-2H3 |
| InChIKey | PGPHLNZOSIXFHP-UHFFFAOYSA-N |
| Molecular Weight | 232.202 g/mol |
| SMILES | C1=CC(C(OC(C)C)=O)=CC(=C1)C(F)(F)F |