| SpectraBase Compound ID | 6np2UV1SAgK |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-7-19(8-2,17(20)22-12-13(3)4)18(21)23-16-11-9-10-14(5)15(16)6/h9-11,13H,7-8,12H2,1-6H3 |
| InChIKey | FRIUIKLUHCTQSV-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 | DEc2zHCSW0F |
|---|---|
| Name | Diethylmalonic acid, 2,3-dimethylphenyl isobutyl 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/c1-7-19(8-2,17(20)22-12-13(3)4)18(21)23-16-11-9-10-14(5)15(16)6/h9-11,13H,7-8,12H2,1-6H3 |
| InChIKey | FRIUIKLUHCTQSV-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC |