| SpectraBase Compound ID | An79PsT3uOq |
|---|---|
| InChI | InChI=1S/C22H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h13-14,17-18H,3-12,15-16,19-21H2,1-2H3/b14-13+,18-17+ |
| InChIKey | HKQJNIDALRCNCW-WSPGMDLHSA-N |
| Mol Weight | 336.6 g/mol |
| Molecular Formula | C22H40O2 |
| Exact Mass | 336.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | cudpl0hFUt |
|---|---|
| Name | Methyl 5,9-heneicosadienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.302830526 u |
| Formula | C22H40O2 |
| InChI | InChI=1S/C22H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h13-14,17-18H,3-12,15-16,19-21H2,1-2H3/b14-13+,18-17+ |
| InChIKey | HKQJNIDALRCNCW-WSPGMDLHSA-N |
| Molecular Weight | 336.560 g/mol |
| SMILES | C(CCC\C=C\CC\C=C\CCCCCCCCCCC)(=O)OC |