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2-Methyl-4-benzoyl-3H-imidazo[1,5-B]pyridazine-5,7-(6H)-dione
SpectraBase Compound ID 9sLOIQLebSH
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
Mol Weight 269.26 g/mol
Molecular Formula C14H11N3O3
Exact Mass 269.080041 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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