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Methyl 5-[(2',6'-dioxocyclohexylidene)methylamino]-7-methyl-4-oxo-3-(p-tolyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
SpectraBase Compound ID 8rBB8ClXADH
InChI InChI=1S/C23H21N3O5S/c1-12-7-9-14(10-8-12)26-22(29)19-18(20(25-26)23(30)31-3)13(2)32-21(19)24-11-15-16(27)5-4-6-17(15)28/h7-11,24H,4-6H2,1-3H3
InChIKey COBYRSFNNZTERE-UHFFFAOYSA-N
Mol Weight 451.5 g/mol
Molecular Formula C23H21N3O5S
Exact Mass 451.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7f2jxkagvri
Name Methyl 5-[(2',6'-dioxocyclohexylidene)methylamino]-7-methyl-4-oxo-3-(p-tolyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
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Formula C23H21N3O5S
InChI InChI=1S/C23H21N3O5S/c1-12-7-9-14(10-8-12)26-22(29)19-18(20(25-26)23(30)31-3)13(2)32-21(19)24-11-15-16(27)5-4-6-17(15)28/h7-11,24H,4-6H2,1-3H3
InChIKey COBYRSFNNZTERE-UHFFFAOYSA-N
Molecular Weight 451.497 g/mol
SMILES N(C=C1C(=O)CCCC1=O)c1c2c(C(C(=O)OC)=NN(C2=O)c2ccc(cc2)C)c(C)s1
SPLASH splash10-0udi-4457900000-20d46aae7d3e78fd97fe
Source of Spectrum AJ-43-563-21
Synonyms Methyl 5-{[(2,6-dioxocyclohexylidene)methyl]amino}-7-methyl-3-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate 5-[(2,6-dioxocyclohexylidene)methylamino]-7-methyl-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester Methyl 5-[(2,6-dioxocyclohexylidene)methylamino]-7-methyl-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Methyl 5-[(2,6-dioxocyclohexylidene)methylamino]-7-methyl-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate Methyl 5-[[2,6-bis(oxidanylidene)cyclohexylidene]methylamino]-7-methyl-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate
Wiley ID 1594026