SpectraBase Spectrum ID |
LD1dPKyfsGt |
Name |
Acetic acid, 2-[methyl(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)amino]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
200.054554750 u |
Formula |
C6H8N4O4 |
InChI |
InChI=1S/C6H8N4O4/c1-10(2-3(11)12)4-5(13)7-6(14)9-8-4/h2H2,1H3,(H,11,12)(H2,7,9,13,14) |
InChIKey |
ORKIPYVTIXFVMB-UHFFFAOYSA-N |
Molecular Weight |
200.154 g/mol |
SMILES |
CN(CC(O)=O)C=1C(NC(=O)NN1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938053 |