| SpectraBase Compound ID | AQU2CPIBcsR |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-5-7-9-11-13-14-15-17-19-21-23-30-25(28)26(3,4)24(27)29-22-20-18-16-12-10-8-6-2/h5-23H2,1-4H3 |
| InChIKey | CRAWWOJADMBVBW-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C26H50O4 |
| Exact Mass | 426.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eV3dD0mWpe |
|---|---|
| Name | Dimethylmalonic acid, dodecyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.370910086 u |
| Formula | C26H50O4 |
| InChI | InChI=1S/C26H50O4/c1-5-7-9-11-13-14-15-17-19-21-23-30-25(28)26(3,4)24(27)29-22-20-18-16-12-10-8-6-2/h5-23H2,1-4H3 |
| InChIKey | CRAWWOJADMBVBW-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | CCCCCCCCCCCCOC(C(C(=O)OCCCCCCCCC)(C)C)=O |