| SpectraBase Compound ID | 13YJxmC9DvT |
|---|---|
| InChI | InChI=1S/C21H42O11/c1-22-10-13(25-4)16(27-6)18(14(26-5)11-23-2)32-21-20(30-9)19(29-8)17(28-7)15(31-21)12-24-3/h13-21H,10-12H2,1-9H3/t13-,14+,15+,16+,17-,18+,19-,20+,21-/m0/s1 |
| InChIKey | QORZOJLEBCJYBI-HFCPJDEDSA-N |
| Mol Weight | 470.6 g/mol |
| Molecular Formula | C21H42O11 |
| Exact Mass | 470.272712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HObxYbs04cq |
|---|---|
| Name | D-Lactitol nonamethyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.272712161 u |
| Formula | C21H42O11 |
| InChI | InChI=1S/C21H42O11/c1-22-10-13(25-4)16(27-6)18(14(26-5)11-23-2)32-21-20(30-9)19(29-8)17(28-7)15(31-21)12-24-3/h13-21H,10-12H2,1-9H3/t13-,14+,15+,16+,17-,18+,19-,20+,21-/m0/s1 |
| InChIKey | QORZOJLEBCJYBI-HFCPJDEDSA-N |
| Molecular Weight | 470.556 g/mol |
| SMILES | [C@@]1(O[C@]([C@](OC)(COC)[H])([C@](OC)([C@@](OC)(COC)[H])[H])[H])([C@@]([C@@](OC)([C@]([C@](O1)(COC)[H])(OC)[H])[H])(OC)[H])[H] |