| SpectraBase Compound ID | Dc09fTYdAoe |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-7-20(8-2,18(21)23-13-14(3)4)19(22)25-17-12-10-9-11-16(17)24-15(5)6/h9-12,14-15H,7-8,13H2,1-6H3 |
| InChIKey | QASONLRWBYCTRL-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmVyV0RVnV5 |
|---|---|
| Name | Diethylmalonic acid, isobutyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-7-20(8-2,18(21)23-13-14(3)4)19(22)25-17-12-10-9-11-16(17)24-15(5)6/h9-12,14-15H,7-8,13H2,1-6H3 |
| InChIKey | QASONLRWBYCTRL-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC |