| SpectraBase Compound ID | LrhYL2xYj8q |
|---|---|
| InChI | InChI=1S/C14H20O6S/c1-11-4-6-13(7-5-11)21(17,18)20-10-14(3,16)8-9-19-12(2)15/h4-7,16H,8-10H2,1-3H3 |
| InChIKey | WAHAWSGAAUFCEP-UHFFFAOYSA-N |
| Mol Weight | 316.37 g/mol |
| Molecular Formula | C14H20O6S |
| Exact Mass | 316.09806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jiQnoSKQyq |
|---|---|
| Name | 2-Deoxythreitol, 1-o-acetyl-4-o-p-toluenesulfonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.098059532 u |
| Formula | C14H20O6S |
| InChI | InChI=1S/C14H20O6S/c1-11-4-6-13(7-5-11)21(17,18)20-10-14(3,16)8-9-19-12(2)15/h4-7,16H,8-10H2,1-3H3 |
| InChIKey | WAHAWSGAAUFCEP-UHFFFAOYSA-N |
| Molecular Weight | 316.368 g/mol |
| SMILES | C(=O)(OCC[C@](O)(COS(C1=CC=C(C)C=C1)(=O)=O)C)C |