| SpectraBase Compound ID | FJbfWy7ejz6 |
|---|---|
| InChI | InChI=1S/C17H37S.CH4O4S/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-17H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1 |
| InChIKey | CYOCLMPHCGCOGH-UHFFFAOYSA-M |
| Mol Weight | 384.63 g/mol |
| Molecular Formula | C18H40O4S2 |
| Exact Mass | 384.236802 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | cenb0NBjqQ |
|---|---|
| Name | Dioctylsulfide dimethylsulfate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.236802112 u |
| Formula | C18H40O4S2 |
| InChI | InChI=1S/C17H37S.CH4O4S/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-17H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1 |
| InChIKey | CYOCLMPHCGCOGH-UHFFFAOYSA-M |
| Molecular Weight | 384.634 g/mol |
| SMILES | COS(=O)(=O)[O-].CCCCCCCC[S+](CCCCCCCC)C |