| SpectraBase Compound ID | K4a3YR6Th79 |
|---|---|
| InChI | InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h9-10H,3-8,11-19H2,1-2H3/b10-9+ |
| InChIKey | XZMSLYSQJNCDQH-MDZDMXLPSA-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 | 80DaTKRnedJ |
|---|---|
| Name | Ethyl E-11-octadecenoate |
| 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h9-10H,3-8,11-19H2,1-2H3/b10-9+ |
| InChIKey | XZMSLYSQJNCDQH-MDZDMXLPSA-N |
| Molecular Weight | 310.522 g/mol |
| SMILES | CCCCCC\C=C\CCCCCCCCCC(OCC)=O |