| SpectraBase Spectrum ID |
KZcm8AaX5Ki |
| Name |
Endo-4-(4'-cyanophenyl)-7-phenyl-2-(2'-pyridyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.142975834 u |
| Formula |
C24H18N4O2 |
| InChI |
InChI=1S/C24H18N4O2/c25-14-15-9-11-16(12-10-15)21-19-20(22(27-21)18-8-4-5-13-26-18)24(30)28(23(19)29)17-6-2-1-3-7-17/h1-13,19-22,27H |
| InChIKey |
VKRQAVCNHJUJPT-UHFFFAOYSA-N |
| Molecular Weight |
394.434 g/mol |
| SMILES |
C12C(C(=O)N(C2=O)C=2C=CC=CC2)C(C=2C=CC(C#N)=CC2)NC1C1=NC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871651 |
![Endo-4-(4'-cyanophenyl)-7-phenyl-2-(2'-pyridyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane](/api/spectrum/KZcm8AaX5Ki/structure.png?h=300&w=458 "Endo-4-(4'-cyanophenyl)-7-phenyl-2-(2'-pyridyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane")
