| SpectraBase Compound ID | 7cusNCmY1kB |
|---|---|
| InChI | InChI=1S/C13H22O8/c1-8(14)19-7-11(18-5)13(21-10(3)16)12(6-17-4)20-9(2)15/h11-13H,6-7H2,1-5H3 |
| InChIKey | POQJQMANZZFNEP-UHFFFAOYSA-N |
| Mol Weight | 306.31 g/mol |
| Molecular Formula | C13H22O8 |
| Exact Mass | 306.131468 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Io86BnM4Se |
|---|---|
| Name | 1,3,4-tri-o-Acetyl-2,5-di-o-methylpentitol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.131467660 u |
| Formula | C13H22O8 |
| InChI | InChI=1S/C13H22O8/c1-8(14)19-7-11(18-5)13(21-10(3)16)12(6-17-4)20-9(2)15/h11-13H,6-7H2,1-5H3 |
| InChIKey | POQJQMANZZFNEP-UHFFFAOYSA-N |
| Molecular Weight | 306.311 g/mol |
| SMILES | C(C(C(C(COC)OC(=O)C)OC(=O)C)OC)OC(=O)C |