| SpectraBase Compound ID | BH9NwXt8XrF |
|---|---|
| InChI | InChI=1S/C8H14O6/c1-2-13-7(11)8(12)3-5(9)6(10)4-14-8/h5-6,9-10,12H,2-4H2,1H3/t5-,6+,8?/m0/s1 |
| InChIKey | USHHWQVZTRAQIE-FWHJPCMOSA-N |
| Mol Weight | 206.19 g/mol |
| Molecular Formula | C8H14O6 |
| Exact Mass | 206.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXL5gBqRguG |
|---|---|
| Name | Ethyl 3-desoxy-L-threo-2-hexulosonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.079038165 u |
| Formula | C8H14O6 |
| InChI | InChI=1S/C8H14O6/c1-2-13-7(11)8(12)3-5(9)6(10)4-14-8/h5-6,9-10,12H,2-4H2,1H3/t5-,6+,8?/m0/s1 |
| InChIKey | USHHWQVZTRAQIE-FWHJPCMOSA-N |
| Molecular Weight | 206.194 g/mol |
| SMILES | C1(C[C@@]([C@](O)(CO1)[H])(O)[H])(C(=O)OCC)O |