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5-cyano-4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazine-3-carboxylic acid
SpectraBase Compound ID FdlhYYWsYlM
InChI InChI=1S/C22H15Cl2N3O3/c1-12-3-7-16(9-13(12)2)27-21(28)18(11-25)17(20(26-27)22(29)30)8-5-14-4-6-15(23)10-19(14)24/h3-10H,1-2H3,(H,29,30)/b8-5+
InChIKey DOBHQQMGJVDBDX-VMPITWQZSA-N
Mol Weight 440.29 g/mol
Molecular Formula C22H15Cl2N3O3
Exact Mass 439.049047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ar4RWyGQgZp
Name 5-cyano-4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazine-3-carboxylic acid
Alternate Name(s) 5-cyano-4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-(3,4-dimethylphenyl)-6-oxo-3-pyridazinecarboxylic acid 5-cyano-4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxylic acid 5-cyano-4-[(E)-2-(2,4-dichlorophenyl)vinyl]-1-(3,4-dimethylphenyl)-6-keto-pyridazine-3-carboxylic acid 5-cyano-4-[(E)-2-(2,4-dichlorophenyl)vinyl]-1-(3,4-dimethylphenyl)-6-oxo-pyridazine-3-carboxylic acid
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Formula C22H15Cl2N3O3
InChI InChI=1S/C22H15Cl2N3O3/c1-12-3-7-16(9-13(12)2)27-21(28)18(11-25)17(20(26-27)22(29)30)8-5-14-4-6-15(23)10-19(14)24/h3-10H,1-2H3,(H,29,30)/b8-5+
InChIKey DOBHQQMGJVDBDX-VMPITWQZSA-N
Molecular Weight 440.286 g/mol
SMILES OC(C=1C(=C(C(N(N1)c1cc(C)c(cc1)C)=O)C#N)\C=C\c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-000l-5914700000-ff131ae1d50b923193f8
Wiley ID 1443871