| SpectraBase Compound ID | 2ZuXQ8TqhQV |
|---|---|
| InChI | InChI=1S/C8H4F6O6S2/c9-7(10,11)21(15,16)19-5-1-2-6(4-3-5)20-22(17,18)8(12,13)14/h1-4H |
| InChIKey | MGCGBLPJVJJHEB-UHFFFAOYSA-N |
| Mol Weight | 374.22 g/mol |
| Molecular Formula | C8H4F6O6S2 |
| Exact Mass | 373.935349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gx1kyGlH4D |
|---|---|
| Name | Trifluoromethanesulfonic acid (4-triflyloxyphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.935349169 u |
| Formula | C8H4F6O6S2 |
| InChI | InChI=1S/C8H4F6O6S2/c9-7(10,11)21(15,16)19-5-1-2-6(4-3-5)20-22(17,18)8(12,13)14/h1-4H |
| InChIKey | MGCGBLPJVJJHEB-UHFFFAOYSA-N |
| Molecular Weight | 374.224 g/mol |
| SMILES | C(S(OC=1C=CC(OS(C(F)(F)F)(=O)=O)=CC1)(=O)=O)(F)(F)F |