| SpectraBase Spectrum ID |
Gzs0POQPu2J |
| Name |
5-Phenyl-2-oxo-3,4-dicyano-1,2-dihydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.058911856 u |
| Formula |
C13H7N3O |
| InChI |
InChI=1S/C13H7N3O/c14-6-10-11(7-15)13(17)16-8-12(10)9-4-2-1-3-5-9/h1-5,8H,(H,16,17) |
| InChIKey |
FXZKEBIYTBJVAJ-UHFFFAOYSA-N |
| Molecular Weight |
221.219 g/mol |
| SMILES |
C1(=C(C(C=2C=CC=CC2)=CNC1=O)C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868133 |
