| SpectraBase Compound ID | A6esrlc5DBr |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7-,11-10-,14-13- |
| InChIKey | NVAMKMGGAOESMK-JPFHKJGASA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rv8zn7bgYL |
|---|---|
| Name | Butyl 6,9,12-hexadecatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7-,11-10-,14-13- |
| InChIKey | NVAMKMGGAOESMK-JPFHKJGASA-N |
| SMILES | C(C(OCCCC)=O)CCC\C=C/C\C=C/C\C=C/CCC |