| SpectraBase Spectrum ID |
IQtRpxejGa9 |
| Name |
3,7,10-Trimethyl-4,9-dioxo-4,8,9,10-H-as-triazino(4,3-B)triazepine-1,2,4 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.091274612 u |
| Formula |
C9H11N5O2 |
| InChI |
InChI=1S/C9H11N5O2/c1-5-4-7(15)13(3)9-11-10-6(2)8(16)14(9)12-5/h4H2,1-3H3 |
| InChIKey |
SXFGAQXULWOPGL-UHFFFAOYSA-N |
| Molecular Weight |
221.220 g/mol |
| SMILES |
C1C(=NN2C(=O)C(=NN=C2N(C1=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940505 |
