| SpectraBase Compound ID | F4vJcYbiK9Y |
|---|---|
| InChI | InChI=1S/C15H30O/c1-3-5-6-7-11-15-13-9-8-12-14(16-15)10-4-2/h14-15H,3-13H2,1-2H3/t14-,15+/m1/s1 |
| InChIKey | DYPBWZZUWVXKCZ-CABCVRRESA-N |
| Mol Weight | 226.4 g/mol |
| Molecular Formula | C15H30O |
| Exact Mass | 226.229666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GyvX9NFq3z |
|---|---|
| Name | (2S,7R)-2-Hexyl-7-propyl-oxepane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.229665585 u |
| Formula | C15H30O |
| InChI | InChI=1S/C15H30O/c1-3-5-6-7-11-15-13-9-8-12-14(16-15)10-4-2/h14-15H,3-13H2,1-2H3/t14-,15+/m1/s1 |
| InChIKey | DYPBWZZUWVXKCZ-CABCVRRESA-N |
| Molecular Weight | 226.404 g/mol |
| SMILES | [C@@]1(O[C@@](CCCC1)(CCC)[H])(CCCCCC)[H] |