| SpectraBase Spectrum ID |
2ZjVr5oBmDo |
| Name |
1,3-Dimethylpyrimido[4,5-C]pyridazine-4,5,7(1H,6H,8H)-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.059640131 u |
| Formula |
C8H8N4O3 |
| InChI |
InChI=1S/C8H8N4O3/c1-3-5(13)4-6(12(2)11-3)9-8(15)10-7(4)14/h1-2H3,(H2,9,10,14,15) |
| InChIKey |
UJSOCBXPNVPQNV-UHFFFAOYSA-N |
| Molecular Weight |
208.177 g/mol |
| SMILES |
C12=C(C(=O)NC(N2)=O)C(=O)C(=NN1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954895 |
![1,3-Dimethylpyrimido[4,5-c]pyridazine-4,5,7(1H,6H,8H)-trione](/api/spectrum/2ZjVr5oBmDo/structure.png?h=300&w=458 "1,3-Dimethylpyrimido[4,5-c]pyridazine-4,5,7(1H,6H,8H)-trione")
