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Methyl 4-oxo-7-methyl-5-[(3'-oxo-5'-phenylpenta-1',4'-dienyl)amino]-3-(p-tolyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
SpectraBase Compound ID IFvz1UWyrNU
InChI InChI=1S/C27H23N3O4S/c1-17-9-12-20(13-10-17)30-26(32)23-22(24(29-30)27(33)34-3)18(2)35-25(23)28-16-15-21(31)14-11-19-7-5-4-6-8-19/h4-16,28H,1-3H3/b14-11+,16-15+
InChIKey YSFXDSLRRYYICH-LPVXAABHSA-N
Mol Weight 485.56 g/mol
Molecular Formula C27H23N3O4S
Exact Mass 485.140927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJwKsO4LwGY
Name Methyl 4-oxo-7-methyl-5-[(3'-oxo-5'-phenylpenta-1',4'-dienyl)amino]-3-(p-tolyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
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Formula C27H23N3O4S
InChI InChI=1S/C27H23N3O4S/c1-17-9-12-20(13-10-17)30-26(32)23-22(24(29-30)27(33)34-3)18(2)35-25(23)28-16-15-21(31)14-11-19-7-5-4-6-8-19/h4-16,28H,1-3H3/b14-11+,16-15+
InChIKey YSFXDSLRRYYICH-LPVXAABHSA-N
Molecular Weight 485.558 g/mol
SMILES N(c1c2c(C(C(=O)OC)=NN(C2=O)c2ccc(cc2)C)c(C)s1)\C=C\C(\C=C\c1ccccc1)=O
SPLASH splash10-004i-4526900000-3ba4932938edbf07d861
Source of Spectrum AJ-43-562-18
Wiley ID 1594030