| SpectraBase Compound ID | 2YMRIuJ8MuT |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-4-6-8-10-11-13(3)16-14(15)12-9-7-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+ |
| InChIKey | FCIRXSXAXUSWOF-ZHACJKMWSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYU5FXSjotF |
|---|---|
| Name | Hexanoic 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 | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-4-6-8-10-11-13(3)16-14(15)12-9-7-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+ |
| InChIKey | FCIRXSXAXUSWOF-ZHACJKMWSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | CCCCCC(OC(C)\C=C\CCCC)=O |