| SpectraBase Spectrum ID |
K67RWWE6h6a |
| Name |
1H,5H-Pyrazolo[1,2-A][1,2,4]triazole-1,3,5(2H)-trione, 6,7-dimethyl-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.080041223 u |
| Formula |
C13H11N3O3 |
| InChI |
InChI=1S/C13H11N3O3/c1-8-9(2)15-12(18)14(10-6-4-3-5-7-10)13(19)16(15)11(8)17/h3-7H,1-2H3 |
| InChIKey |
ADIPKVVCLKSSBN-UHFFFAOYSA-N |
| Molecular Weight |
257.249 g/mol |
| SMILES |
C1=CC(N2C(=O)N3C(=O)C(C)=C(N3C2=O)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80679 |
![1H,5H-Pyrazolo[1,2-a][1,2,4]triazole-1,3,5(2H)-trione, 6,7-dimethyl-2-phenyl-](/api/spectrum/K67RWWE6h6a/structure.png?h=300&w=458 "1H,5H-Pyrazolo[1,2-a][1,2,4]triazole-1,3,5(2H)-trione, 6,7-dimethyl-2-phenyl-")
