| SpectraBase Compound ID | 43LuZTUTxtv |
|---|---|
| InChI | InChI=1S/C13H22O6/c1-8(6-17-10(3)14)13(19-12(5)16)9(2)7-18-11(4)15/h8-9,13H,6-7H2,1-5H3/t8-,9+,13? |
| InChIKey | MOSHXFBNXNSGLL-PHXKMMTBSA-N |
| Mol Weight | 274.31 g/mol |
| Molecular Formula | C13H22O6 |
| Exact Mass | 274.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zdOXRlmTME |
|---|---|
| Name | (2R,4S)-1,3,5-Triacetoxy-2,4-dimethylpentane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.141638422 u |
| Formula | C13H22O6 |
| InChI | InChI=1S/C13H22O6/c1-8(6-17-10(3)14)13(19-12(5)16)9(2)7-18-11(4)15/h8-9,13H,6-7H2,1-5H3/t8-,9+,13? |
| InChIKey | MOSHXFBNXNSGLL-PHXKMMTBSA-N |
| SMILES | C(OC(=O)C)([C@@](COC(=O)C)(C)[H])[C@](COC(=O)C)(C)[H] |