| SpectraBase Compound ID | GkrBpSTyL25 |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-16(2)20-13-12(17-8-10-6-4-3-5-7-10)11-9-18-15(19-11)14(13)21-16/h3-7,11-15H,8-9H2,1-2H3/t11-,12-,13+,14+,15?/m1/s1 |
| InChIKey | WVFQZQAOUZPWQB-BUWKTABGSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TUbrE3xUgK |
|---|---|
| Name | 4-Benzyl-2,3-acetone-D-mannosan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-16(2)20-13-12(17-8-10-6-4-3-5-7-10)11-9-18-15(19-11)14(13)21-16/h3-7,11-15H,8-9H2,1-2H3/t11-,12-,13+,14+,15?/m1/s1 |
| InChIKey | WVFQZQAOUZPWQB-BUWKTABGSA-N |
| SMILES | [C@@]1([C@@]2(OC([C@@]3([C@]1(OC(O3)(C)C)[H])[H])OC2)[H])(OCC1=CC=CC=C1)[H] |