| SpectraBase Compound ID | HjuyhlBaBCJ |
|---|---|
| InChI | InChI=1S/C13H18O8/c1-7(14)18-6-11(19-8(2)15)13(20-9(3)16)10-4-5-12(17)21-10/h10-11,13H,4-6H2,1-3H3/t10-,11-,13-/m1/s1 |
| InChIKey | NRFXSLPSTKBSDT-NQBHXWOUSA-N |
| Mol Weight | 302.28 g/mol |
| Molecular Formula | C13H18O8 |
| Exact Mass | 302.100168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I66v3KhfcuX |
|---|---|
| Name | D-Lyxo-heptonic acid, 2,3-dideoxy-, .gamma.-lactone, triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.100167532 u |
| Formula | C13H18O8 |
| InChI | InChI=1S/C13H18O8/c1-7(14)18-6-11(19-8(2)15)13(20-9(3)16)10-4-5-12(17)21-10/h10-11,13H,4-6H2,1-3H3/t10-,11-,13-/m1/s1 |
| InChIKey | NRFXSLPSTKBSDT-NQBHXWOUSA-N |
| SMILES | [C@@]([C@](OC(=O)C)(COC(=O)C)[H])([C@@]1(OC(=O)CC1)[H])(OC(=O)C)[H] |