| SpectraBase Compound ID | C8QVtaMzDJf |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-7-10-11-12-13-18-27-22(25)24(8-2,9-3)23(26)28-19-17-21(6)16-14-15-20(4)5/h20-21H,7-19H2,1-6H3 |
| InChIKey | DSAAMKKSTMYUQR-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 | HBI2zKRGaVg |
|---|---|
| Name | Diethylmalonic acid, 3,7-dimethyloctyl heptyl 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/c1-7-10-11-12-13-18-27-22(25)24(8-2,9-3)23(26)28-19-17-21(6)16-14-15-20(4)5/h20-21H,7-19H2,1-6H3 |
| InChIKey | DSAAMKKSTMYUQR-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | CCC(C(OCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |