SpectraBase Spectrum ID |
AUzWPXWZSrG |
Name |
2-Methyl-4-benzoyl-3H-imidazo[1,5-B]pyridazine-5,7-(6H)-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.080041223 u |
Formula |
C14H11N3O3 |
InChI |
InChI=1S/C14H11N3O3/c1-8-7-10(12(18)9-5-3-2-4-6-9)11-13(19)15-14(20)17(11)16-8/h2-6H,7H2,1H3,(H,15,19,20) |
InChIKey |
SEMGFRXBVSYGGI-UHFFFAOYSA-N |
SMILES |
C1C(=NN2C(=C1C(=O)C1=CC=CC=C1)C(=O)NC2=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984599 |