| SpectraBase Compound ID | 2XXkCvvg8PF |
|---|---|
| InChI | InChI=1S/C18H36O2/c1-4-6-7-8-9-10-11-12-13-15-18(19)20-16-17(3)14-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | AGSWKPMKNYLPHP-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 | AyM7wUDL5Cj |
|---|---|
| Name | Dodecanoic acid, 2-methylpentyl 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/c1-4-6-7-8-9-10-11-12-13-15-18(19)20-16-17(3)14-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | AGSWKPMKNYLPHP-UHFFFAOYSA-N |
| SMILES | CCCC(COC(CCCCCCCCCCC)=O)C |