| SpectraBase Compound ID | 3LZ4mhd4hJE |
|---|---|
| InChI | InChI=1S/C20H36O3/c1-3-4-5-7-11-14-19(21)18-16-17(18)13-10-8-6-9-12-15-20(22)23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | SGVQFLSJLOASPQ-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C20H36O3 |
| Exact Mass | 324.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ypJ08LCPUX |
|---|---|
| Name | 8-(2-Octanoylcyclopropyl)octanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.266445016 u |
| Formula | C20H36O3 |
| InChI | InChI=1S/C20H36O3/c1-3-4-5-7-11-14-19(21)18-16-17(18)13-10-8-6-9-12-15-20(22)23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | SGVQFLSJLOASPQ-UHFFFAOYSA-N |
| Molecular Weight | 324.505 g/mol |
| SMILES | C1C(CCCCCCCC(=O)OC)C1C(=O)CCCCCCC |