| SpectraBase Compound ID | Eww48JE5KKl |
|---|---|
| InChI | InChI=1S/C21H26O4/c1-5-21(6-2,19(22)24-14-15(3)4)20(23)25-18-12-11-16-9-7-8-10-17(16)13-18/h7-13,15H,5-6,14H2,1-4H3 |
| InChIKey | IHASQWIZERONMC-UHFFFAOYSA-N |
| Mol Weight | 342.44 g/mol |
| Molecular Formula | C21H26O4 |
| Exact Mass | 342.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5T8T0sKFqMh |
|---|---|
| Name | Diethylmalonic acid, isobutyl 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.183109313 u |
| Formula | C21H26O4 |
| InChI | InChI=1S/C21H26O4/c1-5-21(6-2,19(22)24-14-15(3)4)20(23)25-18-12-11-16-9-7-8-10-17(16)13-18/h7-13,15H,5-6,14H2,1-4H3 |
| InChIKey | IHASQWIZERONMC-UHFFFAOYSA-N |
| Molecular Weight | 342.435 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=CC2=C(C=C1)C=CC=C2)=O)CC |