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1H-Pyrazole-5-carboxylic acid, 3-[[(4-cyanophenyl)amino]carbonyl]-1-methyl-, methyl ester
SpectraBase Compound ID DyVWVh8S0uy
InChI InChI=1S/C14H12N4O3/c1-18-12(14(20)21-2)7-11(17-18)13(19)16-10-5-3-9(8-15)4-6-10/h3-7H,1-2H3,(H,16,19)
InChIKey JEOGVXJROPPVCK-UHFFFAOYSA-N
Mol Weight 284.27 g/mol
Molecular Formula C14H12N4O3
Exact Mass 284.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwCHe9swM8D
Name 1H-Pyrazole-5-carboxylic acid, 3-[[(4-cyanophenyl)amino]carbonyl]-1-methyl-, methyl ester
Alternate Name(s) Methyl 3-[(4-cyanophenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate 5-[(4-cyanoanilino)-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid methyl ester Methyl 5-[(4-cyanophenyl)carbamoyl]-2-methylpyrazole-3-carboxylate Methyl 5-[(4-cyanophenyl)carbamoyl]-2-methyl-pyrazole-3-carboxylate
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Formula C14H12N4O3
InChI InChI=1S/C14H12N4O3/c1-18-12(14(20)21-2)7-11(17-18)13(19)16-10-5-3-9(8-15)4-6-10/h3-7H,1-2H3,(H,16,19)
InChIKey JEOGVXJROPPVCK-UHFFFAOYSA-N
Molecular Weight 284.275 g/mol
SMILES N(C(c1cc([n](n1)C)C(=O)OC)=O)c1ccc(C#N)cc1
SPLASH splash10-014i-4920000000-9e4a3ec7c8144a1fd3ec
Source of Spectrum IY-2-4765-5
Wiley ID 1655638