| SpectraBase Compound ID | 7GcrgkKifKW |
|---|---|
| InChI | InChI=1S/C12H16O7S/c1-7-2-4-8(5-3-7)20(16,17)19-11-10(14)9(13)6-18-12(11)15/h2-5,9-15H,6H2,1H3 |
| InChIKey | KTKCEKRKHGDSSA-UHFFFAOYSA-N |
| Mol Weight | 304.31 g/mol |
| Molecular Formula | C12H16O7S |
| Exact Mass | 304.061674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73MvenJtvV |
|---|---|
| Name | 2-o-p-Toluenesulfonylarabinose |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.061674022 u |
| Formula | C12H16O7S |
| InChI | InChI=1S/C12H16O7S/c1-7-2-4-8(5-3-7)20(16,17)19-11-10(14)9(13)6-18-12(11)15/h2-5,9-15H,6H2,1H3 |
| InChIKey | KTKCEKRKHGDSSA-UHFFFAOYSA-N |
| Molecular Weight | 304.313 g/mol |
| SMILES | C1(C(COC(C1OS(=O)(=O)C=1C=CC(=CC1)C)O)O)O |