| SpectraBase Compound ID | AIbPOXunTaH |
|---|---|
| InChI | InChI=1S/C8H7F3O3S/c1-6-4-2-3-5-7(6)14-15(12,13)8(9,10)11/h2-5H,1H3 |
| InChIKey | RBOGJRXPKONDGC-UHFFFAOYSA-N |
| Mol Weight | 240.2 g/mol |
| Molecular Formula | C8H7F3O3S |
| Exact Mass | 240.0068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJmZMlIDEe9 |
|---|---|
| Name | 2-Tolyl trifluoromethanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.006799745 u |
| Formula | C8H7F3O3S |
| InChI | InChI=1S/C8H7F3O3S/c1-6-4-2-3-5-7(6)14-15(12,13)8(9,10)11/h2-5H,1H3 |
| InChIKey | RBOGJRXPKONDGC-UHFFFAOYSA-N |
| Molecular Weight | 240.196 g/mol |
| SMILES | C1=C(C(=CC=C1)OS(=O)(=O)C(F)(F)F)C |