| SpectraBase Compound ID | HOmYiM6bPLZ |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-14-22-17(20)19(5-2,6-3)18(21)23-15-10-13-16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3 |
| InChIKey | XLKCAQRRXUZDIB-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 | 8ZYeiax5d9 |
|---|---|
| Name | Diethylmalonic acid, 3-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/c1-4-14-22-17(20)19(5-2,6-3)18(21)23-15-10-13-16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3 |
| InChIKey | XLKCAQRRXUZDIB-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC |