| SpectraBase Compound ID | C1coj2M66Xr |
|---|---|
| InChI | InChI=1S/C19H28O6/c1-7-19(8-2,17(20)24-12-13(3)4)18(21)25-16-14(22-5)10-9-11-15(16)23-6/h9-11,13H,7-8,12H2,1-6H3 |
| InChIKey | ZUOGJRNTNSGRAM-UHFFFAOYSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C19H28O6 |
| Exact Mass | 352.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WfRDDRggEc |
|---|---|
| Name | Diethylmalonic acid, 2,6-dimethoxyphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.188588616 u |
| Formula | C19H28O6 |
| InChI | InChI=1S/C19H28O6/c1-7-19(8-2,17(20)24-12-13(3)4)18(21)25-16-14(22-5)10-9-11-15(16)23-6/h9-11,13H,7-8,12H2,1-6H3 |
| InChIKey | ZUOGJRNTNSGRAM-UHFFFAOYSA-N |
| Molecular Weight | 352.427 g/mol |
| SMILES | COC1=C(C(=CC=C1)OC)OC(C(C(OCC(C)C)=O)(CC)CC)=O |