2-Phenyl-4-(isopropyloxycarbonyl)-6-methyl-3H-imidazo[1,5-B]pyridazine-5,7-dione

SpectraBase Compound ID	8Im9Dhvgk7G
InChI	InChI=1S/C17H17N3O4/c1-10(2)24-16(22)12-9-13(11-7-5-4-6-8-11)18-20-14(12)15(21)19(3)17(20)23/h4-8,10H,9H2,1-3H3
InChIKey	OWRVOUQSUWZKPV-UHFFFAOYSA-N Google Search
Mol Weight	327.34 g/mol
Molecular Formula	C17H17N3O4
Exact Mass	327.121906 g/mol

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SpectraBase Spectrum ID	9ZlMwUeCxK0
Name	2-Phenyl-4-(isopropyloxycarbonyl)-6-methyl-3H-imidazo[1,5-B]pyridazine-5,7-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	327.121906035 u
Formula	C17H17N3O4
InChI	InChI=1S/C17H17N3O4/c1-10(2)24-16(22)12-9-13(11-7-5-4-6-8-11)18-20-14(12)15(21)19(3)17(20)23/h4-8,10H,9H2,1-3H3
InChIKey	OWRVOUQSUWZKPV-UHFFFAOYSA-N
Molecular Weight	327.340 g/mol
SMILES	C1=CC=CC(=C1)C=1CC(=C2N(C(N(C2=O)C)=O)N1)C(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.880359