| SpectraBase Spectrum ID |
FkL7vYOnU3S |
| Name |
5-Acetyl-2-keto-6-methyl-4-phenyl-1H-pyridine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.089877632 u |
| Formula |
C15H12N2O2 |
| InChI |
InChI=1S/C15H12N2O2/c1-9-13(10(2)18)14(11-6-4-3-5-7-11)12(8-16)15(19)17-9/h3-7H,1-2H3,(H,17,19) |
| InChIKey |
LKEJDQDRGSOWGF-UHFFFAOYSA-N |
| Molecular Weight |
252.273 g/mol |
| SMILES |
C1(=C(C(C(=O)C)=C(NC1=O)C)C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893127 |
