| SpectraBase Compound ID | 2BlkVyphgnL |
|---|---|
| InChI | InChI=1S/C7H16O4S4/c1-14(8,9)12-6-4-3-5-7-13-15(2,10)11/h3-7H2,1-2H3 |
| InChIKey | PFGFBHYQVVHELE-UHFFFAOYSA-N |
| Mol Weight | 292.4 g/mol |
| Molecular Formula | C7H16O4S4 |
| Exact Mass | 291.993144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASuL2oLfgde |
|---|---|
| Name | Methanesulfonothioic acid 1,5-pentanediyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.993143687 u |
| Formula | C7H16O4S4 |
| InChI | InChI=1S/C7H16O4S4/c1-14(8,9)12-6-4-3-5-7-13-15(2,10)11/h3-7H2,1-2H3 |
| InChIKey | PFGFBHYQVVHELE-UHFFFAOYSA-N |
| Molecular Weight | 292.441 g/mol |
| SMILES | C(SS(=O)(=O)C)CCCCSS(=O)(=O)C |