| SpectraBase Compound ID | Ebb9YVv7f0u |
|---|---|
| InChI | InChI=1S/C12H18O8/c1-7(13)19-9(5-6-10(15)17-3)11(12(16)18-4)20-8(2)14/h9,11H,5-6H2,1-4H3/t9-,11-/m0/s1 |
| InChIKey | UJLJWIBTKDJEIW-ONGXEEELSA-N |
| Mol Weight | 290.27 g/mol |
| Molecular Formula | C12H18O8 |
| Exact Mass | 290.100168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I4Fr0BPTcCK |
|---|---|
| Name | (2S,3S)-Dimethyl(2,3-diacetoxy)adipate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.100167532 u |
| Formula | C12H18O8 |
| InChI | InChI=1S/C12H18O8/c1-7(13)19-9(5-6-10(15)17-3)11(12(16)18-4)20-8(2)14/h9,11H,5-6H2,1-4H3/t9-,11-/m0/s1 |
| InChIKey | UJLJWIBTKDJEIW-ONGXEEELSA-N |
| SMILES | [C@](C(=O)OC)([C@@](OC(=O)C)(CCC(=O)OC)[H])(OC(=O)C)[H] |