| SpectraBase Compound ID | KI3CnFsBE69 |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-5-9-11-13-14-15-16-18-20-22-29-24(27)25(7-3,8-4)23(26)28-21-19-17-12-10-6-2/h5-22H2,1-4H3 |
| InChIKey | WDTQZPHLRWWMFJ-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 | 3orMcHSyIrQ |
|---|---|
| Name | Diethylmalonic acid, heptyl undecyl 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/c1-5-9-11-13-14-15-16-18-20-22-29-24(27)25(7-3,8-4)23(26)28-21-19-17-12-10-6-2/h5-22H2,1-4H3 |
| InChIKey | WDTQZPHLRWWMFJ-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | CCC(C(OCCCCCCCCCCC)=O)(C(OCCCCCCC)=O)CC |