| SpectraBase Compound ID | LQPIoESkGPK |
|---|---|
| InChI | InChI=1S/C11H11F3O2/c1-7-4-3-5-9(8(7)2)10(15)16-6-11(12,13)14/h3-5H,6H2,1-2H3 |
| InChIKey | XRQXKOVCRCZTQX-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 | 9WRjzZLOp8O |
|---|---|
| Name | 2,3-Dimethylbenzoic acid, 2,2,2-trifluoroethyl 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/c1-7-4-3-5-9(8(7)2)10(15)16-6-11(12,13)14/h3-5H,6H2,1-2H3 |
| InChIKey | XRQXKOVCRCZTQX-UHFFFAOYSA-N |
| Molecular Weight | 232.202 g/mol |
| SMILES | C1(=C(C=CC=C1C(=O)OCC(F)(F)F)C)C |