| SpectraBase Compound ID | 4dzewGoDQbV |
|---|---|
| InChI | InChI=1S/C20H30O6/c1-6-9-10-14-25-18(21)20(7-2,8-3)19(22)26-17-15(23-4)12-11-13-16(17)24-5/h11-13H,6-10,14H2,1-5H3 |
| InChIKey | QOOKLABLLUOCSD-UHFFFAOYSA-N |
| Mol Weight | 366.45 g/mol |
| Molecular Formula | C20H30O6 |
| Exact Mass | 366.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rg9wXvwOHb |
|---|---|
| Name | Diethylmalonic acid, 2,6-dimethoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.204238680 u |
| Formula | C20H30O6 |
| InChI | InChI=1S/C20H30O6/c1-6-9-10-14-25-18(21)20(7-2,8-3)19(22)26-17-15(23-4)12-11-13-16(17)24-5/h11-13H,6-10,14H2,1-5H3 |
| InChIKey | QOOKLABLLUOCSD-UHFFFAOYSA-N |
| Molecular Weight | 366.454 g/mol |
| SMILES | COC1=C(C(=CC=C1)OC)OC(C(C(OCCCCC)=O)(CC)CC)=O |