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2-[[5-[(2-fluorobenzoyl)amino]-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid ethyl ester
SpectraBase Compound ID X7wI111bwH
InChI InChI=1S/C26H21FN4O4/c1-2-35-26(34)19-13-7-9-15-22(19)29-25(33)20-16-28-31(17-10-4-3-5-11-17)23(20)30-24(32)18-12-6-8-14-21(18)27/h3-16H,2H2,1H3,(H,29,33)(H,30,32)
InChIKey KESPCSPDUPUUJY-UHFFFAOYSA-N
Mol Weight 472.48 g/mol
Molecular Formula C26H21FN4O4
Exact Mass 472.154683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjDD0iHhS4g
Name 2-[[5-[(2-fluorobenzoyl)amino]-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid ethyl ester
Alternate Name(s) 2-[[[5-[[(2-fluorophenyl)-oxomethyl]amino]-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester Ethyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenyl-pyrazole-4-carbonyl]amino]benzoate Ethyl 2-[[5-[(2-fluorophenyl)carbonylamino]-1-phenyl-pyrazol-4-yl]carbonylamino]benzoate
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Formula C26H21FN4O4
InChI InChI=1S/C26H21FN4O4/c1-2-35-26(34)19-13-7-9-15-22(19)29-25(33)20-16-28-31(17-10-4-3-5-11-17)23(20)30-24(32)18-12-6-8-14-21(18)27/h3-16H,2H2,1H3,(H,29,33)(H,30,32)
InChIKey KESPCSPDUPUUJY-UHFFFAOYSA-N
Molecular Weight 472.476 g/mol
SMILES N(C(c1c([n](nc1)-c1ccccc1)NC(c1c(F)cccc1)=O)=O)c1c(C(=O)OCC)cccc1
SPLASH splash10-01b9-3901000000-4e99de58fbbeb4874709
Wiley ID 1460444