| SpectraBase Compound ID | 9QJhoHlSWqN |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-6-11-12-13-14-15-16-17-18-19-22-29-24(27)26(9-4,10-5)25(28)30-23(20-7-2)21-8-3/h23H,6-22H2,1-5H3 |
| InChIKey | PDDSGGDXGVIBSE-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C26H50O4 |
| Exact Mass | 426.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Fe0pbs6Rabt |
|---|---|
| Name | Diethylmalonic acid, dodecyl hept-4-yl 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/c1-6-11-12-13-14-15-16-17-18-19-22-29-24(27)26(9-4,10-5)25(28)30-23(20-7-2)21-8-3/h23H,6-22H2,1-5H3 |
| InChIKey | PDDSGGDXGVIBSE-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | CCC(C(OCCCCCCCCCCCC)=O)(C(OC(CCC)CCC)=O)CC |