| SpectraBase Compound ID | 2cD3b62DxQo |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-6-9-10-11-12-13-14-15-16-17-24-19(22)21(7-2,8-3)20(23)25-18(4)5/h18H,6-17H2,1-5H3 |
| InChIKey | IETJCGWQONJPLO-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CNerFd0AFzI |
|---|---|
| Name | Diethylmalonic acid, isopropyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-6-9-10-11-12-13-14-15-16-17-24-19(22)21(7-2,8-3)20(23)25-18(4)5/h18H,6-17H2,1-5H3 |
| InChIKey | IETJCGWQONJPLO-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CCC(C(OCCCCCCCCCCC)=O)(C(OC(C)C)=O)CC |