| SpectraBase Compound ID | F7fsIOcbz79 |
|---|---|
| InChI | InChI=1S/C21H40O2/c1-5-7-9-11-13-15-17-20(19(3)21(22)23-4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3 |
| InChIKey | ZXZWZMALTPFELF-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C21H40O2 |
| Exact Mass | 324.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CVNqcsFEHpF |
|---|---|
| Name | 2-Undecenoic acid, 2-methyl-3-octyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.302830526 u |
| Formula | C21H40O2 |
| InChI | InChI=1S/C21H40O2/c1-5-7-9-11-13-15-17-20(19(3)21(22)23-4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3 |
| InChIKey | ZXZWZMALTPFELF-UHFFFAOYSA-N |
| Molecular Weight | 324.549 g/mol |
| SMILES | C(C(=O)OC)(=C(CCCCCCCC)CCCCCCCC)C |