| SpectraBase Compound ID | ElD1FOhk0v5 |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-5-7-9-10-11-12-13-14-15-16-18-25-20(23)21(3,4)19(22)24-17-8-6-2/h5-18H2,1-4H3 |
| InChIKey | REGUQOFNMKUIKB-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 | GfmjylRIzVm |
|---|---|
| Name | Dimethylmalonic acid, butyl dodecyl 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/c1-5-7-9-10-11-12-13-14-15-16-18-25-20(23)21(3,4)19(22)24-17-8-6-2/h5-18H2,1-4H3 |
| InChIKey | REGUQOFNMKUIKB-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CCCCOC(C(C(OCCCCCCCCCCCC)=O)(C)C)=O |