| SpectraBase Compound ID | BdGs2nNYuYz |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-4-16(5-2,14(18)20-6-3)15(19)21-13-9-7-12(11-17)8-10-13/h7-10H,4-6H2,1-3H3 |
| InChIKey | SVAGHCHZBVMBNK-UHFFFAOYSA-N |
| Mol Weight | 289.33 g/mol |
| Molecular Formula | C16H19NO4 |
| Exact Mass | 289.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmVDSkzDMut |
|---|---|
| Name | Diethylmalonic acid, 4-cyanophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.131408092 u |
| Formula | C16H19NO4 |
| InChI | InChI=1S/C16H19NO4/c1-4-16(5-2,14(18)20-6-3)15(19)21-13-9-7-12(11-17)8-10-13/h7-10H,4-6H2,1-3H3 |
| InChIKey | SVAGHCHZBVMBNK-UHFFFAOYSA-N |
| Molecular Weight | 289.331 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OC1=CC=C(C#N)C=C1)=O)CC |