| SpectraBase Compound ID | 4uiW5Acd1ip |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-14-22-17(20)19(7-3,8-4)18(21)23-16(6-2)15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3 |
| InChIKey | LZCDIRBKEVVVJB-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 | EDRVVwDsZ5m |
|---|---|
| Name | Diethylmalonic acid, 1-phenylpropyl propyl 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/c1-5-14-22-17(20)19(7-3,8-4)18(21)23-16(6-2)15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3 |
| InChIKey | LZCDIRBKEVVVJB-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OC(CC)C1=CC=CC=C1)=O)CC |