| SpectraBase Compound ID | 2YAuogjXjxo |
|---|---|
| InChI | InChI=1S/C9H12O3S.2H2O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;;/h4-5H,1-3H3,(H,10,11,12);2*1H2 |
| InChIKey | LIKWMDGAWXCECN-UHFFFAOYSA-N |
| Mol Weight | 236.282 g/mol |
| Molecular Formula | C9H16O5S |
| Exact Mass | 236.071845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tPq3KxzKOm |
|---|---|
| Name | 2-MESITYLENESULFONIC ACID, DIHYDRATE |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O3S 2H2O |
| InChI | InChI=1S/C9H12O3S.2H2O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;;/h4-5H,1-3H3,(H,10,11,12);2*1H2 |
| InChIKey | LIKWMDGAWXCECN-UHFFFAOYSA-N |
| Melting Point | 70-72C |
| Molecular Weight | 236.29 |
| Solvent | Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20 |