| SpectraBase Compound ID | HMaEJ0PENGx |
|---|---|
| InChI | InChI=1S/C21H40O3/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21(23)24-2/h3-19H2,1-2H3 |
| InChIKey | YETUXOMVCLUZSZ-UHFFFAOYSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C21H40O3 |
| Exact Mass | 340.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5pazQ7h8OCn |
|---|---|
| Name | Eicosanoic acid, 11-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.297745145 u |
| Formula | C21H40O3 |
| InChI | InChI=1S/C21H40O3/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21(23)24-2/h3-19H2,1-2H3 |
| InChIKey | YETUXOMVCLUZSZ-UHFFFAOYSA-N |
| Molecular Weight | 340.548 g/mol |
| SMILES | C(C(CCCCCCCCC)=O)CCCCCCCCC(OC)=O |