| SpectraBase Compound ID | AH5wcGYcOMU |
|---|---|
| InChI | InChI=1S/C5H5N.C2H3F3O3S/c1-2-4-6-5-3-1;3-2(4,5)1-9(6,7)8/h1-5H;1H2,(H,6,7,8) |
| InChIKey | NGDLUIWDVBHCBB-UHFFFAOYSA-N |
| Mol Weight | 243.2 g/mol |
| Molecular Formula | C7H8F3NO3S |
| Exact Mass | 243.017699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGKK4U27X0B |
|---|---|
| Name | Pyridinium 1-deutero-2,2,2-trifluoroethanesulphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.017698782 u |
| Formula | C7H8F3NO3S |
| InChI | InChI=1S/C5H5N.C2H3F3O3S/c1-2-4-6-5-3-1;3-2(4,5)1-9(6,7)8/h1-5H;1H2,(H,6,7,8) |
| InChIKey | NGDLUIWDVBHCBB-UHFFFAOYSA-N |
| Molecular Weight | 243.200 g/mol |
| SMILES | c1[nH+]cccc1.C(C(F)(F)F)S(=O)(=O)[O-] |