| SpectraBase Compound ID | 8XLKpc7Ioxn |
|---|---|
| InChI | InChI=1S/C10H20O3/c1-7(2)5-8(11)9-6-12-10(3,4)13-9/h7-9,11H,5-6H2,1-4H3/t8-,9?/m1/s1 |
| InChIKey | BJIBUHISHNJRCG-VEDVMXKPSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C10H20O3 |
| Exact Mass | 188.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22qLWm1VClQ |
|---|---|
| Name | (2R,6R)-1,2-o-(Methylethylidene)-4-(5'-methylhexane)-1,2,3-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.141244501 u |
| Formula | C10H20O3 |
| InChI | InChI=1S/C10H20O3/c1-7(2)5-8(11)9-6-12-10(3,4)13-9/h7-9,11H,5-6H2,1-4H3/t8-,9?/m1/s1 |
| InChIKey | BJIBUHISHNJRCG-VEDVMXKPSA-N |
| Molecular Weight | 188.267 g/mol |
| SMILES | C1(OC(CO1)[C@@](CC(C)C)(O)[H])(C)C |