| SpectraBase Compound ID | Jt0fnGIVQBS |
|---|---|
| InChI | InChI=1S/C7H16O6S2/c1-14(8,9)12-6-4-3-5-7-13-15(2,10)11/h3-7H2,1-2H3 |
| InChIKey | QTNVULGCBFTXBM-UHFFFAOYSA-N |
| Mol Weight | 260.32 g/mol |
| Molecular Formula | C7H16O6S2 |
| Exact Mass | 260.038831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JObHCja12sw |
|---|---|
| Name | 1,5-Pentanediol, dimethanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.038830577 u |
| Formula | C7H16O6S2 |
| InChI | InChI=1S/C7H16O6S2/c1-14(8,9)12-6-4-3-5-7-13-15(2,10)11/h3-7H2,1-2H3 |
| InChIKey | QTNVULGCBFTXBM-UHFFFAOYSA-N |
| Molecular Weight | 260.319 g/mol |
| SMILES | CS(OCCCCCOS(C)(=O)=O)(=O)=O |