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1-(4-Chlorophenyl)-5-cyano-4-methyl-6-oxidanylidene-pyridazine-3-carboxylic acid
SpectraBase Compound ID GEFnYxTD5YD
InChI InChI=1S/C13H8ClN3O3/c1-7-10(6-15)12(18)17(16-11(7)13(19)20)9-4-2-8(14)3-5-9/h2-5H,1H3,(H,19,20)
InChIKey KRMJTYDBSIXBPJ-UHFFFAOYSA-N
Mol Weight 289.68 g/mol
Molecular Formula C13H8ClN3O3
Exact Mass 289.025419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TlFrkxF5JW
Name 1-(4-Chlorophenyl)-5-cyano-4-methyl-6-oxidanylidene-pyridazine-3-carboxylic acid
Alternate Name(s) 1-(4-Chlorophenyl)-5-cyano-4-methyl-6-oxo-3-pyridazinecarboxylic acid 1-(4-Chlorophenyl)-5-cyano-4-methyl-6-oxo-pyridazine-3-carboxylic acid 1-(4-Chlorophenyl)-5-cyano-6-keto-4-methyl-pyridazine-3-carboxylic acid
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Formula C13H8ClN3O3
InChI InChI=1S/C13H8ClN3O3/c1-7-10(6-15)12(18)17(16-11(7)13(19)20)9-4-2-8(14)3-5-9/h2-5H,1H3,(H,19,20)
InChIKey KRMJTYDBSIXBPJ-UHFFFAOYSA-N
Molecular Weight 289.678 g/mol
SMILES OC(C=1C(=C(C(N(c2ccc(cc2)Cl)N1)=O)C#N)C)=O
SPLASH splash10-03g0-7980000000-359ee61c0fd6acfb895f
Wiley ID 1511240