| SpectraBase Compound ID | KnbzAI5ed7J |
|---|---|
| InChI | InChI=1S/C20H38O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h14,16H,3-13,15,17-19H2,1-2H3/b16-14+ |
| InChIKey | ARQAFFCEYWRMIC-JQIJEIRASA-N |
| Mol Weight | 310.5 g/mol |
| Molecular Formula | C20H38O2 |
| Exact Mass | 310.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Y1fLiBhgdZ |
|---|---|
| Name | 3-Octenoic acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.287180462 u |
| Formula | C20H38O2 |
| InChI | InChI=1S/C20H38O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h14,16H,3-13,15,17-19H2,1-2H3/b16-14+ |
| InChIKey | ARQAFFCEYWRMIC-JQIJEIRASA-N |
| Molecular Weight | 310.522 g/mol |
| SMILES | C(\C=C\CCCC)C(OCCCCCCCCCCCC)=O |