| SpectraBase Compound ID | 57fS5DF2irX |
|---|---|
| InChI | InChI=1S/C7H9N.C6H6O3S/c1-6-4-3-5-7(2)8-6;7-10(8,9)6-4-2-1-3-5-6/h3-5H,1-2H3;1-5H,(H,7,8,9) |
| InChIKey | VVZTYXYZLAJYPD-UHFFFAOYSA-N |
| Mol Weight | 265.33 g/mol |
| Molecular Formula | C13H15NO3S |
| Exact Mass | 265.077265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3r3y9fLD2pv |
|---|---|
| Name | 2,6-Dimethylpyridinium p-toluenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.077264518 u |
| Formula | C13H15NO3S |
| InChI | InChI=1S/C7H9N.C6H6O3S/c1-6-4-3-5-7(2)8-6;7-10(8,9)6-4-2-1-3-5-6/h3-5H,1-2H3;1-5H,(H,7,8,9) |
| InChIKey | VVZTYXYZLAJYPD-UHFFFAOYSA-N |
| Molecular Weight | 265.327 g/mol |
| SMILES | C=1C=CC=C(C1)S(=O)(=O)[O-].C=1C=CC(=[NH+]C1C)C |