| SpectraBase Compound ID | 4IkGyxcXDwK |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-8-11-12-13-14-15-16-17-27-21(25)24(9-2,10-3)22(26)28-19-20(4)18-23(5,6)7/h20H,8-19H2,1-7H3 |
| InChIKey | YCRWRGMLGWJWCB-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9v5Pr6RsDg |
|---|---|
| Name | Diethylmalonic acid, nonyl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-8-11-12-13-14-15-16-17-27-21(25)24(9-2,10-3)22(26)28-19-20(4)18-23(5,6)7/h20H,8-19H2,1-7H3 |
| InChIKey | YCRWRGMLGWJWCB-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | CCC(C(OCCCCCCCCC)=O)(C(OCC(CC(C)(C)C)C)=O)CC |