| SpectraBase Compound ID | 3zEYjlRySNW |
|---|---|
| InChI | InChI=1S/C10H16.2CH4O3S/c1-2-9-5-8-3-7(1)4-10(9)6-8;2*1-5(2,3)4/h7-10H,1-6H2;2*1H3,(H,2,3,4)/t7-,8-,9?,10?;;/m0../s1 |
| InChIKey | HZVOQCSMLZVUGE-RQCVWDGXSA-N |
| Mol Weight | 328.44 g/mol |
| Molecular Formula | C12H24O6S2 |
| Exact Mass | 328.101431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYMO3aJ2PxP |
|---|---|
| Name | nan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.101430835 u |
| Formula | C12H24O6S2 |
| InChI | InChI=1S/C10H16.2CH4O3S/c1-2-9-5-8-3-7(1)4-10(9)6-8;2*1-5(2,3)4/h7-10H,1-6H2;2*1H3,(H,2,3,4)/t7-,8-,9?,10?;;/m0../s1 |
| InChIKey | HZVOQCSMLZVUGE-RQCVWDGXSA-N |
| Molecular Weight | 328.438 g/mol |
| Nominal Mass | 328 u |
| SMILES | OS(=O)(=O)C.[C@@]12(CC[C@]3([C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])[H].OS(=O)(=O)C |