| SpectraBase Spectrum ID |
9QGaHmjWZXH |
| Name |
Pyrimido[5,4-E][1,2,4]triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.075624548 u |
| Formula |
C8H9N5O2 |
| InChI |
InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3 |
| InChIKey |
CPXHNWKHOFNPDO-UHFFFAOYSA-N |
| Molecular Weight |
207.193 g/mol |
| SMILES |
C1=2C(C(=O)N(C(N2)=O)C)=NC(=NN1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910804 |
![Pyrimido[5,4-E][1,2,4]triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-](/api/spectrum/9QGaHmjWZXH/structure.png?h=300&w=458 "Pyrimido[5,4-E][1,2,4]triazine-5,7(1H,6H)-dione, 1,3,6-trimethyl-")
