| SpectraBase Compound ID | L9DmMLyNirR |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-7-11-16-24-19(22)21(5-2,6-3)20(23)25-17-12-15-18-13-9-8-10-14-18/h8-10,13-14H,4-7,11-12,15-17H2,1-3H3 |
| InChIKey | QJILYJQZYQVKCC-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsTAYrc24BA |
|---|---|
| Name | Diethylmalonic acid, pentyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-7-11-16-24-19(22)21(5-2,6-3)20(23)25-17-12-15-18-13-9-8-10-14-18/h8-10,13-14H,4-7,11-12,15-17H2,1-3H3 |
| InChIKey | QJILYJQZYQVKCC-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC |