| SpectraBase Compound ID | E6ZCUi6KeGb |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-8-11-14-22-17(20)19(6-2,7-3)18(21)23-16-13-10-9-12-15(16)4/h9-10,12-13H,5-8,11,14H2,1-4H3 |
| InChIKey | MWBHKPYIZGIIJQ-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 | 76GNiILqlnO |
|---|---|
| Name | Diethylmalonic acid, 2-methylphenyl pentyl 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/c1-5-8-11-14-22-17(20)19(6-2,7-3)18(21)23-16-13-10-9-12-15(16)4/h9-10,12-13H,5-8,11,14H2,1-4H3 |
| InChIKey | MWBHKPYIZGIIJQ-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C(C(OCCCCC)=O)(C(OC1=C(C=CC=C1)C)=O)CC)C |