4-(4'-Methoxybenzoyl)-1-methyl-5-[(p-toluenesulfonyl)oxy]-3-(trifluoromethyl)pyrazole

SpectraBase Compound ID	B1tLMBJyxo8
InChI	InChI=1S/C20H17F3N2O5S/c1-12-4-10-15(11-5-12)31(27,28)30-19-16(18(20(21,22)23)24-25(19)2)17(26)13-6-8-14(29-3)9-7-13/h4-11H,1-3H3
InChIKey	WFDKJFPUBDQATH-UHFFFAOYSA-N Google Search
Mol Weight	454.42 g/mol
Molecular Formula	C20H17F3N2O5S
Exact Mass	454.081027 g/mol

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SpectraBase Spectrum ID	90lwBV8yoKv
Name	4-(4'-Methoxybenzoyl)-1-methyl-5-[(p-toluenesulfonyl)oxy]-3-(trifluoromethyl)pyrazole
Alternate Name(s)	4-(4-Methoxybenzoyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid[2-methyl-4-p-anisoyl-5-(trifluoromethyl)pyrazol-3-yl]ester 4-Methylbenzenesulfonic acid[4-[(4-methoxyphenyl)-oxomethyl]-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]ester [4-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]4-methylbenzenesulfonate [4-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [4-[(4-methoxyphenyl)-oxomethyl]-2-methyl-5-(trifluoromethyl)-3-pyrazolyl] ester [4-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate [4-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H17F3N2O5S
InChI	InChI=1S/C20H17F3N2O5S/c1-12-4-10-15(11-5-12)31(27,28)30-19-16(18(20(21,22)23)24-25(19)2)17(26)13-6-8-14(29-3)9-7-13/h4-11H,1-3H3
InChIKey	WFDKJFPUBDQATH-UHFFFAOYSA-N
Molecular Weight	454.420 g/mol
SMILES	c1(c(c(C(F)(F)F)n[n]1C)C(c1ccc(cc1)OC)=O)OS(c1ccc(cc1)C)(=O)=O
SPLASH	splash10-0zfr-0910100000-7f01a45cad6999f0b3f8
Source of Spectrum	SK-28-2165-7
Wiley ID	868548