| SpectraBase Compound ID | BnDdEA3M1Or |
|---|---|
| InChI | InChI=1S/C5H12O6S2/c1-12(6,7)10-4-3-5-11-13(2,8)9/h3-5H2,1-2H3 |
| InChIKey | MAIFZJHANFOZHK-UHFFFAOYSA-N |
| Mol Weight | 232.26 g/mol |
| Molecular Formula | C5H12O6S2 |
| Exact Mass | 232.00753 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82buEHTx603 |
|---|---|
| Name | 1,3-Propanediol, dimethanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.007530448 u |
| Formula | C5H12O6S2 |
| InChI | InChI=1S/C5H12O6S2/c1-12(6,7)10-4-3-5-11-13(2,8)9/h3-5H2,1-2H3 |
| InChIKey | MAIFZJHANFOZHK-UHFFFAOYSA-N |
| Molecular Weight | 232.265 g/mol |
| SMILES | CS(OCCCOS(C)(=O)=O)(=O)=O |