| SpectraBase Compound ID | 24ttc74vkaX |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-3-20-14(18)16(11-8-12-17,15(19)21-4-2)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11H2,1-2H3 |
| InChIKey | GVKMKQDOXARLPO-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 | 56z7Loe1QyI |
|---|---|
| Name | 2-(2-Cyanoethyl)-2-phenyl-malonic acid diethyl 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/c1-3-20-14(18)16(11-8-12-17,15(19)21-4-2)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11H2,1-2H3 |
| InChIKey | GVKMKQDOXARLPO-UHFFFAOYSA-N |
| SMILES | C(C(=O)OCC)(C(=O)OCC)(C=1C=CC=CC1)CCC#N |