| SpectraBase Compound ID | 9ysL9bZ3HJ0 |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-7-11-13-17(9-3)15-24-19(22)21(5,6)20(23)25-16-18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3 |
| InChIKey | WYQVMTZMVCQNDJ-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ITInJqhzZs |
|---|---|
| Name | Dimethylmalonic acid, di(2-ethylhexyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-7-11-13-17(9-3)15-24-19(22)21(5,6)20(23)25-16-18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3 |
| InChIKey | WYQVMTZMVCQNDJ-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CCC(COC(C(C(=O)OCC(CCCC)CC)(C)C)=O)CCCC |