| SpectraBase Compound ID | 5Y3ZPnAINHi |
|---|---|
| InChI | InChI=1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h14-15,18-19H,3-13,16-17,20-22H2,1-2H3/b15-14+,19-18+ |
| InChIKey | AKCJXIPVDJNKKL-HOTZHUKSSA-N |
| Mol Weight | 350.6 g/mol |
| Molecular Formula | C23H42O2 |
| Exact Mass | 350.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 813fvMnzMTy |
|---|---|
| Name | Methyl 5,9-docosadienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.318480590 u |
| Formula | C23H42O2 |
| InChI | InChI=1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h14-15,18-19H,3-13,16-17,20-22H2,1-2H3/b15-14+,19-18+ |
| InChIKey | AKCJXIPVDJNKKL-HOTZHUKSSA-N |
| Molecular Weight | 350.587 g/mol |
| SMILES | C(CCC\C=C\CC\C=C\CCCCCCCCCCCC)(=O)OC |