| SpectraBase Compound ID | DYjIv5x1yTd |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-7-10-11-12-13-14-19-28-23(26)25(8-2,9-3)24(27)29-20-18-22(6)17-15-16-21(4)5/h21-22H,7-20H2,1-6H3 |
| InChIKey | JOSWAMRHFBKRRX-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVSWtOUK0nJ |
|---|---|
| Name | Diethylmalonic acid, 3,7-dimethyloctyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-7-10-11-12-13-14-19-28-23(26)25(8-2,9-3)24(27)29-20-18-22(6)17-15-16-21(4)5/h21-22H,7-20H2,1-6H3 |
| InChIKey | JOSWAMRHFBKRRX-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | CCC(C(OCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |