| SpectraBase Compound ID | JRC6ASyVsJQ |
|---|---|
| InChI | InChI=1S/C11H11F3O3S/c1-2-17-10(16)7(11(12,13)14)6-8(15)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3 |
| InChIKey | ODZDINLNQBIKMA-UHFFFAOYSA-N |
| Mol Weight | 280.26 g/mol |
| Molecular Formula | C11H11F3O3S |
| Exact Mass | 280.0381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVzpAeD7Tjz |
|---|---|
| Name | Ethyl 4-oxo-4-(thiophen-2-yl)-2-(trifluoromethyl)butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.038099874 u |
| Formula | C11H11F3O3S |
| InChI | InChI=1S/C11H11F3O3S/c1-2-17-10(16)7(11(12,13)14)6-8(15)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3 |
| InChIKey | ODZDINLNQBIKMA-UHFFFAOYSA-N |
| Molecular Weight | 280.261 g/mol |
| SMILES | C1(C(CC(C(=O)OCC)C(F)(F)F)=O)=CC=CS1 |