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4-(2',4'-Dichlorobenzoyl)-1-methyl-5-[(p-toluenesulfonyl)oxy]-3-(trifluoromethyl)pyrazole
SpectraBase Compound ID 8Z86J9ZaGbb
InChI InChI=1S/C19H13Cl2F3N2O4S/c1-10-3-6-12(7-4-10)31(28,29)30-18-15(17(19(22,23)24)25-26(18)2)16(27)13-8-5-11(20)9-14(13)21/h3-9H,1-2H3
InChIKey WJCQSQFAKSVFRQ-UHFFFAOYSA-N
Mol Weight 493.28 g/mol
Molecular Formula C19H13Cl2F3N2O4S
Exact Mass 491.992518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RAJEodSJbc
Name 4-(2',4'-Dichlorobenzoyl)-1-methyl-5-[(p-toluenesulfonyl)oxy]-3-(trifluoromethyl)pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13Cl2F3N2O4S
InChI InChI=1S/C19H13Cl2F3N2O4S/c1-10-3-6-12(7-4-10)31(28,29)30-18-15(17(19(22,23)24)25-26(18)2)16(27)13-8-5-11(20)9-14(13)21/h3-9H,1-2H3
InChIKey WJCQSQFAKSVFRQ-UHFFFAOYSA-N
Molecular Weight 493.284 g/mol
SMILES c1(c(OS(c2ccc(cc2)C)(=O)=O)[n](C)nc1C(F)(F)F)C(c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-0pb9-0900100000-15f24669a7a6c9d3ee10
Source of Spectrum SK-28-2165-7
Synonyms 4-(2,4-dichlorobenzoyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid[4-(2,4-dichlorobenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]ester 4-Methylbenzenesulfonic acid[4-[(2,4-dichlorophenyl)-oxomethyl]-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]ester [4-(2,4-dichlorobenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]4-methylbenzenesulfonate [4-(2,4-dichlorophenyl)carbonyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [4-[(2,4-dichlorophenyl)-oxomethyl]-2-methyl-5-(trifluoromethyl)-3-pyrazolyl] ester [4-(2,4-dichlorobenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate [4-(2,4-dichlorophenyl)carbonyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate
Wiley ID 868549