| SpectraBase Compound ID | 9fKijEn53PE |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-7-10-11-12-17-26-21(24)23(8-2,9-3)22(25)27-18-16-20(6)15-13-14-19(4)5/h19-20H,7-18H2,1-6H3 |
| InChIKey | COCOPSZMTOUGFA-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kb8GI9XGsog |
|---|---|
| Name | Diethylmalonic acid, 3,7-dimethyloctyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-7-10-11-12-17-26-21(24)23(8-2,9-3)22(25)27-18-16-20(6)15-13-14-19(4)5/h19-20H,7-18H2,1-6H3 |
| InChIKey | COCOPSZMTOUGFA-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |