| SpectraBase Compound ID | HA7qDgl5JZT |
|---|---|
| InChI | InChI=1S/C8H6BrF3O3S/c9-6-1-3-7(4-2-6)16(13,14)15-5-8(10,11)12/h1-4H,5H2 |
| InChIKey | BSTUYEDQTDHHDV-UHFFFAOYSA-N |
| Mol Weight | 319.09 g/mol |
| Molecular Formula | C8H6BrF3O3S |
| Exact Mass | 317.917313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QfzSvAI33u |
|---|---|
| Name | 2,2,2-Trifluoroethyl 4-bromobenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.917312713 u |
| Formula | C8H6BrF3O3S |
| InChI | InChI=1S/C8H6BrF3O3S/c9-6-1-3-7(4-2-6)16(13,14)15-5-8(10,11)12/h1-4H,5H2 |
| InChIKey | BSTUYEDQTDHHDV-UHFFFAOYSA-N |
| Molecular Weight | 319.092 g/mol |
| SMILES | C=1C=C(S(OCC(F)(F)F)(=O)=O)C=CC1Br |