| SpectraBase Spectrum ID |
ALZRPUjQKEL |
| Name |
4-(4'-Nitrophenyl)-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 |
414.132805072 u |
| Formula |
C23H18N4O4 |
| InChI |
InChI=1S/C23H18N4O4/c28-22-18-19(23(29)26(22)15-6-2-1-3-7-15)21(17-8-4-5-13-24-17)25-20(18)14-9-11-16(12-10-14)27(30)31/h1-13,18-21,25H |
| InChIKey |
YFKVCKMDDSFXAA-UHFFFAOYSA-N |
| Molecular Weight |
414.421 g/mol |
| SMILES |
C12C(C(=O)N(C2=O)C2=CC=CC=C2)C(C2=CC=C(N(=O)=O)C=C2)NC1C1=NC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808144 |
![4-(4'-Nitrophenyl)-7-phenyl-2-(2'-pyridyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane](/api/spectrum/ALZRPUjQKEL/structure.png?h=300&w=458 "4-(4'-Nitrophenyl)-7-phenyl-2-(2'-pyridyl)-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane")
