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2-tert-Butyl-4-(4-toluenesulfonyl)-6-(trifluoromethyl)quinoline
SpectraBase Compound ID FQQcoJroHuV
InChI InChI=1S/C21H20F3NO2S/c1-13-5-8-15(9-6-13)28(26,27)18-12-19(20(2,3)4)25-17-10-7-14(11-16(17)18)21(22,23)24/h5-12H,1-4H3
InChIKey KPUSRVWGSUNMCB-UHFFFAOYSA-N
Mol Weight 407.45 g/mol
Molecular Formula C21H20F3NO2S
Exact Mass 407.116685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kru8vV8g9xF
Name 2-tert-Butyl-4-(4-toluenesulfonyl)-6-(trifluoromethyl)quinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20F3NO2S
InChI InChI=1S/C21H20F3NO2S/c1-13-5-8-15(9-6-13)28(26,27)18-12-19(20(2,3)4)25-17-10-7-14(11-16(17)18)21(22,23)24/h5-12H,1-4H3
InChIKey KPUSRVWGSUNMCB-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.04.034
Molecular Weight 407.451 g/mol
SMILES c12nc(cc(c2cc(C(F)(F)F)cc1)S(c1ccc(C)cc1)(=O)=O)C(C)(C)C
SPLASH splash10-0006-0309200000-294581250ab021028c96
Source of Spectrum F-71-3930-3kb
Synonyms 2-(tert-butyl)-4-tosyl-6-(trifluoromethyl)quinoline
Wiley ID 1805793