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1H-Pyrazole-5-carboxylic acid, 3-[[(4-bromophenyl)amino]carbonyl]-1-methyl-, methyl ester
SpectraBase Compound ID 9FWneg2RNFI
InChI InChI=1S/C13H12BrN3O3/c1-17-11(13(19)20-2)7-10(16-17)12(18)15-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,18)
InChIKey ISMUDMFFEHKKHY-UHFFFAOYSA-N
Mol Weight 338.16 g/mol
Molecular Formula C13H12BrN3O3
Exact Mass 337.006204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9cmtNmOYZ3
Name 1H-Pyrazole-5-carboxylic acid, 3-[[(4-bromophenyl)amino]carbonyl]-1-methyl-, methyl ester
Alternate Name(s) 5-[(4-bromoanilino)-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid methyl ester Methyl 5-[(4-bromophenyl)carbamoyl]-2-methylpyrazole-3-carboxylate Methyl 5-[(4-bromophenyl)carbamoyl]-2-methyl-pyrazole-3-carboxylate
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Formula C13H12BrN3O3
InChI InChI=1S/C13H12BrN3O3/c1-17-11(13(19)20-2)7-10(16-17)12(18)15-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,18)
InChIKey ISMUDMFFEHKKHY-UHFFFAOYSA-N
Molecular Weight 338.161 g/mol
SMILES N(C(c1cc([n](n1)C)C(=O)OC)=O)c1ccc(cc1)Br
SPLASH splash10-014r-4905000000-d7ba413e604798973adc
Source of Spectrum IY-2-4761-3
Wiley ID 1655596