| SpectraBase Spectrum ID |
GvJjwuSZ3zi |
| Name |
6-Methyl-1-acetyl-4,8-dihydro-1H-pyrimido[5,4-E]-(1,2,4)-triazine-5,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.070539167 u |
| Formula |
C8H9N5O3 |
| InChI |
InChI=1S/C8H9N5O3/c1-4(14)13-6-5(9-3-10-13)7(15)12(2)8(16)11-6/h3H,1-2H3,(H,9,10)(H,11,16) |
| InChIKey |
FNFMKEFQWDHPNO-UHFFFAOYSA-N |
| Molecular Weight |
223.192 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2)=O)C)NC=NN1C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936434 |
![6-Methyl-1-acetyl-4,8-dihydro-1H-pyrimido[5,4-e]-(1,2,4)-triazine-5,7-dione](/api/spectrum/GvJjwuSZ3zi/structure.png?h=300&w=458 "6-Methyl-1-acetyl-4,8-dihydro-1H-pyrimido[5,4-e]-(1,2,4)-triazine-5,7-dione")
