| SpectraBase Compound ID | 6mBJqVkFBMu |
|---|---|
| InChI | InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,15-16H,3-9,12-14,17-20H2,1-2H3/b11-10+,16-15+ |
| InChIKey | YOMGWGBSTNGLAY-QLJIQFCGSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C21H38O2 |
| Exact Mass | 322.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJWRFIBQfpC |
|---|---|
| Name | 6,11-Eicosadienoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.287180462 u |
| Formula | C21H38O2 |
| InChI | InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,15-16H,3-9,12-14,17-20H2,1-2H3/b11-10+,16-15+ |
| InChIKey | YOMGWGBSTNGLAY-QLJIQFCGSA-N |
| Molecular Weight | 322.533 g/mol |
| SMILES | C(CCCC)CCC\C=C\CCC\C=C\CCCCC(OC)=O |