| SpectraBase Compound ID | JAR7xqUjsNE |
|---|---|
| InChI | InChI=1S/C15H28O/c1-3-5-6-8-12-15-13-10-7-9-11-14(4-2)16-15/h4,14-15H,2-3,5-13H2,1H3/t14-,15+/m1/s1 |
| InChIKey | WIOLTVQKBBVGLS-CABCVRRESA-N |
| Mol Weight | 224.39 g/mol |
| Molecular Formula | C15H28O |
| Exact Mass | 224.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vwLQnAGMdy |
|---|---|
| Name | (2S*,8S*)-2-Hexyl-8-vinyloxocane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.214015521 u |
| Formula | C15H28O |
| InChI | InChI=1S/C15H28O/c1-3-5-6-8-12-15-13-10-7-9-11-14(4-2)16-15/h4,14-15H,2-3,5-13H2,1H3/t14-,15+/m1/s1 |
| InChIKey | WIOLTVQKBBVGLS-CABCVRRESA-N |
| Molecular Weight | 224.388 g/mol |
| SMILES | [C@]1(O[C@](CCCCC1)(CCCCCC)[H])(C=C)[H] |