| SpectraBase Spectrum ID |
4OxE8vvyQCi |
| Name |
7,9-Dinitro-5-phenyl-2,3-dihydro-1H-benzo[E][1,4]diazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.085854878 u |
| Formula |
C15H12N4O4 |
| InChI |
InChI=1S/C15H12N4O4/c20-18(21)11-8-12-14(10-4-2-1-3-5-10)16-6-7-17-15(12)13(9-11)19(22)23/h1-5,8-9,17H,6-7H2 |
| InChIKey |
YDCUUSHKWPAOTM-UHFFFAOYSA-N |
| Molecular Weight |
312.285 g/mol |
| SMILES |
C1(N(=O)=O)=C2C(C(=NCCN2)C2=CC=CC=C2)=CC(=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96103 |
![7,9-Dinitro-5-phenyl-2,3-dihydro-1H-benzo[E][1,4]diazepine](/api/spectrum/4OxE8vvyQCi/structure.png?h=300&w=458 "7,9-Dinitro-5-phenyl-2,3-dihydro-1H-benzo[E][1,4]diazepine")
