| SpectraBase Compound ID | DibC0BvuW9j |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-5-9-11-12-13-14-15-16-18-21(17-10-6-2,19(22)24-7-3)20(23)25-8-4/h5-18H2,1-4H3 |
| InChIKey | SIUDRBPFBCUUMP-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 | ACHiJhia8ki |
|---|---|
| Name | Butyldecylmalonic acid, diethyl 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/c1-5-9-11-12-13-14-15-16-18-21(17-10-6-2,19(22)24-7-3)20(23)25-8-4/h5-18H2,1-4H3 |
| InChIKey | SIUDRBPFBCUUMP-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(OCC)(C(C(OCC)=O)(CCCCCCCCCC)CCCC)=O |