| SpectraBase Compound ID | HuKPoHBMBvC |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h11,13,15H,4-10,12,14H2,1-3H3/b13-11+ |
| InChIKey | YLCXQAGJQBBVIX-ACCUITESSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WZIcOUNDKT |
|---|---|
| Name | Octanoic acid, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h11,13,15H,4-10,12,14H2,1-3H3/b13-11+ |
| InChIKey | YLCXQAGJQBBVIX-ACCUITESSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | CCCCCCCC(OC(\C=C\CCCC)C)=O |