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Benzoic acid, 4-[[[4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]amino]sulfonyl]-, ethyl ester
SpectraBase Compound ID Bn7vRaxd8bT
InChI InChI=1S/C20H18F3N3O4S/c1-3-30-19(27)14-4-10-17(11-5-14)31(28,29)25-15-6-8-16(9-7-15)26-18(20(21,22)23)12-13(2)24-26/h4-12,25H,3H2,1-2H3
InChIKey QMCPRXMTIVZZQK-UHFFFAOYSA-N
Mol Weight 453.44 g/mol
Molecular Formula C20H18F3N3O4S
Exact Mass 453.097012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kf2AkxGVxIH
Name Benzoic acid, 4-[[[4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]amino]sulfonyl]-, ethyl ester
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Formula C20H18F3N3O4S
InChI InChI=1S/C20H18F3N3O4S/c1-3-30-19(27)14-4-10-17(11-5-14)31(28,29)25-15-6-8-16(9-7-15)26-18(20(21,22)23)12-13(2)24-26/h4-12,25H,3H2,1-2H3
InChIKey QMCPRXMTIVZZQK-UHFFFAOYSA-N
Molecular Weight 453.436 g/mol
SMILES N(c1ccc(-[n]2nc(cc2C(F)(F)F)C)cc1)S(c1ccc(C(OCC)=O)cc1)(=O)=O
SPLASH splash10-0006-4590100000-a8b9c84a7028e9d2fcdd
Source of Spectrum IY-1-4680-4
Synonyms 4-[[4-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]phenyl]sulfamoyl]benzoic acid ethyl ester Ethyl 4-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfamoyl]benzoate
Wiley ID 1654787