| SpectraBase Spectrum ID |
kfKJfHROiR |
| Name |
3-Methyl-1-(4-nitrophenyl)-7-phenyl-1H-[1,2,4]triazino[4,3-B][1,2,4,5]tetrazin-6(4H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.107987304 u |
| Formula |
C17H13N7O3 |
| InChI |
InChI=1S/C17H13N7O3/c1-11-20-22(13-7-9-14(10-8-13)24(26)27)17-19-18-15(16(25)23(17)21-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21) |
| InChIKey |
RWAFQERCUKZWKS-UHFFFAOYSA-N |
| Molecular Weight |
363.337 g/mol |
| SMILES |
C=1(C2=CC=CC=C2)C(N2NC(C)=NN(C2=NN1)C1=CC=C(C=C1)[N+](=O)[O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909711 |
![3-Methyl-1-(4-nitrophenyl)-7-phenyl-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one](/api/spectrum/kfKJfHROiR/structure.png?h=300&w=458 "3-Methyl-1-(4-nitrophenyl)-7-phenyl-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6(4H)-one")
