![Dimethyl butyl[2-(4-pyridyl)ethyl]malonate](/api/spectrum/LpbXh6fyyUX/structure.png?h=300&w=458 "Dimethyl butyl[2-(4-pyridyl)ethyl]malonate")
| SpectraBase Compound ID | 5aokgP7suUi |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-4-5-9-16(14(18)20-2,15(19)21-3)10-6-13-7-11-17-12-8-13/h7-8,11-12H,4-6,9-10H2,1-3H3 |
| InChIKey | PYJNFUSLNJFKFE-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpbXh6fyyUX |
|---|---|
| Name | Dimethyl butyl[2-(4-pyridyl)ethyl]malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-4-5-9-16(14(18)20-2,15(19)21-3)10-6-13-7-11-17-12-8-13/h7-8,11-12H,4-6,9-10H2,1-3H3 |
| InChIKey | PYJNFUSLNJFKFE-UHFFFAOYSA-N |
| SMILES | C(C(=O)OC)(C(=O)OC)(CCC=1C=CN=CC1)CCCC |