| SpectraBase Compound ID | zE7hkbHVNB |
|---|---|
| InChI | InChI=1S/C20H36O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h3-4,6,8-19H2,1-2H3 |
| InChIKey | BUWXVKNOPMULJR-UHFFFAOYSA-N |
| Mol Weight | 308.5 g/mol |
| Molecular Formula | C20H36O2 |
| Exact Mass | 308.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1EkumCsZeLp |
|---|---|
| Name | Octanoic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.271530397 u |
| Formula | C20H36O2 |
| InChI | InChI=1S/C20H36O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h3-4,6,8-19H2,1-2H3 |
| InChIKey | BUWXVKNOPMULJR-UHFFFAOYSA-N |
| Molecular Weight | 308.506 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(CCCCCCC)=O |