| SpectraBase Compound ID | 9NVJ4yocp1v |
|---|---|
| InChI | InChI=1S/C7H5F3O2S/c8-7(9,10)4-12-6(11)5-2-1-3-13-5/h1-3H,4H2 |
| InChIKey | LRFSHJOLWYNALH-UHFFFAOYSA-N |
| Mol Weight | 210.17 g/mol |
| Molecular Formula | C7H5F3O2S |
| Exact Mass | 209.996235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfwDhgxxEEH |
|---|---|
| Name | Thiophene-2-carboxylic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.996235062 u |
| Formula | C7H5F3O2S |
| InChI | InChI=1S/C7H5F3O2S/c8-7(9,10)4-12-6(11)5-2-1-3-13-5/h1-3H,4H2 |
| InChIKey | LRFSHJOLWYNALH-UHFFFAOYSA-N |
| Molecular Weight | 210.170 g/mol |
| SMILES | C1(=CC=CS1)C(=O)OCC(F)(F)F |