| SpectraBase Compound ID | AthEzPYWUOL |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-6-11-12-13-14-15-23-18(21)20(9-4,10-5)19(22)24-16-17(7-2)8-3/h17H,6-16H2,1-5H3 |
| InChIKey | MICTWKZIWJZACN-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 | 70athWQuEbn |
|---|---|
| Name | Diethylmalonic acid, 2-ethylbutyl heptyl 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/c1-6-11-12-13-14-15-23-18(21)20(9-4,10-5)19(22)24-16-17(7-2)8-3/h17H,6-16H2,1-5H3 |
| InChIKey | MICTWKZIWJZACN-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | CCC(C(OCCCCCCC)=O)(C(OCC(CC)CC)=O)CC |