| SpectraBase Compound ID | Ik3Vqo7yxZj |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-5-6-11-14-19(22)17(2)18(3)20(23)15-12-9-7-8-10-13-16-21(24)25-4/h5-16H2,1-4H3/b18-17+ |
| InChIKey | QVPDPGJXXBIBMX-ISLYRVAYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BuwF8XXuTTr |
|---|---|
| Name | 11-Octadecenoic acid, 11,12-dimethyl-10,13-dioxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-5-6-11-14-19(22)17(2)18(3)20(23)15-12-9-7-8-10-13-16-21(24)25-4/h5-16H2,1-4H3/b18-17+ |
| InChIKey | QVPDPGJXXBIBMX-ISLYRVAYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(\C(=C\(C(=O)CCCCCCCCC(=O)OC)C)C)(=O)CCCCC |