| SpectraBase Compound ID | CittOYDzRmo |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-6-19(7-2,17(20)22-12-14(3)4)18(21)23-13-16-10-8-9-15(5)11-16/h8-11,14H,6-7,12-13H2,1-5H3 |
| InChIKey | HUVUGUDXCOOVMI-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9daM5MK1W70 |
|---|---|
| Name | Diethylmalonic acid, isobutyl 3-methylbenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-6-19(7-2,17(20)22-12-14(3)4)18(21)23-13-16-10-8-9-15(5)11-16/h8-11,14H,6-7,12-13H2,1-5H3 |
| InChIKey | HUVUGUDXCOOVMI-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OCC1=CC(=CC=C1)C)=O)CC |