| SpectraBase Compound ID | 5h3WadsKcO8 |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-7-8-9-10-11-12-13-14-15-23-17(21)20(5,6)18(22)24-16-19(2,3)4/h7-16H2,1-6H3 |
| InChIKey | LXAURAQOXFMZBS-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 379gaU07fzU |
|---|---|
| Name | Dimethylmalonic acid, decyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-7-8-9-10-11-12-13-14-15-23-17(21)20(5,6)18(22)24-16-19(2,3)4/h7-16H2,1-6H3 |
| InChIKey | LXAURAQOXFMZBS-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | CCCCCCCCCCOC(C(C(=O)OCC(C)(C)C)(C)C)=O |