| SpectraBase Compound ID | 6IXa56Bu22j |
|---|---|
| InChI | InChI=1S/C11H24O6S2/c1-3-18-11(19-4-2)10(17)9(16)8(15)7(14)6(13)5-12/h6-17H,3-5H2,1-2H3 |
| InChIKey | XJYRBGYTWWDXLP-UHFFFAOYSA-N |
| Mol Weight | 316.43 g/mol |
| Molecular Formula | C11H24O6S2 |
| Exact Mass | 316.101431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jo2TiHwU1BY |
|---|---|
| Name | D-Gluco-D-gulo-heptose, diethyl mercaptal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.101430835 u |
| Formula | C11H24O6S2 |
| InChI | InChI=1S/C11H24O6S2/c1-3-18-11(19-4-2)10(17)9(16)8(15)7(14)6(13)5-12/h6-17H,3-5H2,1-2H3 |
| InChIKey | XJYRBGYTWWDXLP-UHFFFAOYSA-N |
| Molecular Weight | 316.427 g/mol |
| SMILES | C(O)(C(O)C(C(C(O)CO)O)O)C(SCC)SCC |