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1,4-Dimethyll-2-phenyl-6-(4-methylphenylsulfonyl)pyrazolo[3,4-d]-1,6-dihydropyridazin-7(2H)-one
SpectraBase Compound ID Iwq4jildKgQ
InChI InChI=1S/C20H18N4O3S/c1-13-9-11-17(12-10-13)28(26,27)24-20(25)18-15(3)23(16-7-5-4-6-8-16)22-19(18)14(2)21-24/h4-12H,1-3H3
InChIKey SFQCSXXUIHEGIV-UHFFFAOYSA-N
Mol Weight 394.45 g/mol
Molecular Formula C20H18N4O3S
Exact Mass 394.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWSwj0rRWLq
Name 1,4-Dimethyll-2-phenyl-6-(4-methylphenylsulfonyl)pyrazolo[3,4-d]-1,6-dihydropyridazin-7(2H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O3S
InChI InChI=1S/C20H18N4O3S/c1-13-9-11-17(12-10-13)28(26,27)24-20(25)18-15(3)23(16-7-5-4-6-8-16)22-19(18)14(2)21-24/h4-12H,1-3H3
InChIKey SFQCSXXUIHEGIV-UHFFFAOYSA-N
Molecular Weight 394.449 g/mol
SMILES c1(S(N2C(c3c([n](-c4ccccc4)nc3C(=N2)C)C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-000i-0090000000-ec57f2882451a39a9579
Source of Spectrum AT-40-3894-7
Synonyms 1,4-Dimethyl-2-phenyl-6-(4-methylphenylsulfonyl)pyrazolo[3,4-d]-1,6-dihydropyridazin-7(2H)-one
Wiley ID 854546