| SpectraBase Spectrum ID |
FOQkBVrBA9V |
| Name |
Malononitrile, 2-[1-(2,4-dimethylphenyl)-3-oxo-3-phenylpropyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944813 |
![Malononitrile, 2-[1-(2,4-dimethylphenyl)-3-oxo-3-phenylpropyl]-](/api/spectrum/FOQkBVrBA9V/structure.png?h=300&w=458 "Malononitrile, 2-[1-(2,4-dimethylphenyl)-3-oxo-3-phenylpropyl]-")
