| SpectraBase Compound ID | AfPF3WDXHBZ |
|---|---|
| InChI | InChI=1S/C7F8O3S/c8-1-2(9)4(11)6(5(12)3(1)10)18-19(16,17)7(13,14)15 |
| InChIKey | OTTBRWDUQHDNBY-UHFFFAOYSA-N |
| Mol Weight | 316.12 g/mol |
| Molecular Formula | C7F8O3S |
| Exact Mass | 315.94404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgTU0P9FuFM |
|---|---|
| Name | (2,3,4,5,6-Pentafluorophenyl) trifluoromethanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.944040335 u |
| Formula | C7F8O3S |
| InChI | InChI=1S/C7F8O3S/c8-1-2(9)4(11)6(5(12)3(1)10)18-19(16,17)7(13,14)15 |
| InChIKey | OTTBRWDUQHDNBY-UHFFFAOYSA-N |
| Molecular Weight | 316.121 g/mol |
| SMILES | C=1(OS(C(F)(F)F)(=O)=O)C(=C(F)C(=C(C1F)F)F)F |