| SpectraBase Spectrum ID |
5d7XVWlLmy4 |
| Name |
2-(5-oxo-2H,3H-Imidazo[1,2-C]quinazolin-6-yl)acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.085460957 u |
| Formula |
C12H10N4O |
| InChI |
InChI=1S/C12H10N4O/c13-5-7-15-10-4-2-1-3-9(10)11-14-6-8-16(11)12(15)17/h1-4H,6-8H2 |
| InChIKey |
ZKYXCICSALQPCO-UHFFFAOYSA-N |
| Molecular Weight |
226.239 g/mol |
| SMILES |
C1=CC=2C=3N(CCN3)C(N(C2C=C1)CC#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953722 |
![2-(5-oxo-2H,3H-Imidazo[1,2-C]quinazolin-6-yl)acetonitrile](/api/spectrum/5d7XVWlLmy4/structure.png?h=300&w=458 "2-(5-oxo-2H,3H-Imidazo[1,2-C]quinazolin-6-yl)acetonitrile")
