| SpectraBase Spectrum ID |
IA3HPKitvIs |
| Name |
4-(2,4-Dimethylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.141913207 u |
| Formula |
C21H18N2O |
| InChI |
InChI=1S/C21H18N2O/c1-13-4-7-16(8-5-13)20-11-18(19(12-22)21(24)23-20)17-9-6-14(2)10-15(17)3/h4-11H,1-3H3,(H,23,24) |
| InChIKey |
KTBUEFNCPBUYKA-UHFFFAOYSA-N |
| Molecular Weight |
314.388 g/mol |
| SMILES |
CC1=CC=C(C=2C=C(NC(=O)C2C#N)C2=CC=C(C)C=C2)C(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913771 |
