| SpectraBase Compound ID | LMqx10QzV8h |
|---|---|
| InChI | InChI=1S/C8H10O5/c1-3(9)11-5-4-2-10-8(12-4)7-6(5)13-7/h4-8H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1 |
| InChIKey | BSDUFWPLSSGYRM-FMDGEEDCSA-N |
| Mol Weight | 186.16 g/mol |
| Molecular Formula | C8H10O5 |
| Exact Mass | 186.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mksKLYVmTS |
|---|---|
| Name | 1,6:2,3-Dianhydro-4-o-acetyl-.beta.-D-allopyranose |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.052823417 u |
| Formula | C8H10O5 |
| InChI | InChI=1S/C8H10O5/c1-3(9)11-5-4-2-10-8(12-4)7-6(5)13-7/h4-8H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1 |
| InChIKey | BSDUFWPLSSGYRM-FMDGEEDCSA-N |
| Molecular Weight | 186.163 g/mol |
| SMILES | [C@]12([C@]3(O[C@@]([C@]([C@]2(O1)[H])(OC(C)=O)[H])(CO3)[H])[H])[H] |