| SpectraBase Compound ID | eRhatSGCbS |
|---|---|
| InChI | InChI=1S/C18H36O2/c1-5-9-10-11-12-13-18(19)20-17(8-4)15-14-16(6-2)7-3/h16-17H,5-15H2,1-4H3 |
| InChIKey | KOOBNBPYLIQTOF-UHFFFAOYSA-N |
| Mol Weight | 284.5 g/mol |
| Molecular Formula | C18H36O2 |
| Exact Mass | 284.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9whD7AGC5fy |
|---|---|
| Name | Octanoic acid, 6-ethyl-3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.271530397 u |
| Formula | C18H36O2 |
| InChI | InChI=1S/C18H36O2/c1-5-9-10-11-12-13-18(19)20-17(8-4)15-14-16(6-2)7-3/h16-17H,5-15H2,1-4H3 |
| InChIKey | KOOBNBPYLIQTOF-UHFFFAOYSA-N |
| SMILES | CCCCCCCC(=O)OC(CCC(CC)CC)CC |