![Malononitrile, 2-[1-(2,4-dimethylphenyl)-3-oxo-3-phenylpropyl]-](/api/spectrum/JA8bmzkUO7d/structure.png?h=300&w=458 "Malononitrile, 2-[1-(2,4-dimethylphenyl)-3-oxo-3-phenylpropyl]-")
| SpectraBase Compound ID | HiKseycT5Km |
|---|---|
| InChI | InChI=1S/C20H18N2O/c1-14-8-9-18(15(2)10-14)19(17(12-21)13-22)11-20(23)16-6-4-3-5-7-16/h3-10,17,19H,11H2,1-2H3 |
| InChIKey | MVCJKWNNSPYKJJ-UHFFFAOYSA-N |
| Mol Weight | 302.38 g/mol |
| Molecular Formula | C20H18N2O |
| Exact Mass | 302.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JA8bmzkUO7d |
|---|---|
| Name | Malononitrile, 2-[1-(2,4-dimethylphenyl)-3-oxo-3-phenylpropyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.141913207 u |
| Formula | C20H18N2O |
| InChI | InChI=1S/C20H18N2O/c1-14-8-9-18(15(2)10-14)19(17(12-21)13-22)11-20(23)16-6-4-3-5-7-16/h3-10,17,19H,11H2,1-2H3 |
| InChIKey | MVCJKWNNSPYKJJ-UHFFFAOYSA-N |
| SMILES | C(C1=C(C=C(C=C1)C)C)(CC(=O)C=1C=CC=CC1)C(C#N)C#N |