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2-CHLORO-5-CYANO-4-TRIFLUOROMETHYL-6-[3'-(N-TOLUENESULFONYL-6'-BROMO-INDOLYL)]-PYRIDINE
SpectraBase Compound ID KRLPH7I0Tbf
InChI InChI=1S/C22H12BrClF3N3O2S/c1-12-2-5-14(6-3-12)33(31,32)30-11-17(15-7-4-13(23)8-19(15)30)21-16(10-28)18(22(25,26)27)9-20(24)29-21/h2-9,11H,1H3
InChIKey BTRICYIDNDKMEF-UHFFFAOYSA-N
Mol Weight 554.77 g/mol
Molecular Formula C22H12BrClF3N3O2S
Exact Mass 552.947423 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CnyU9EdVvi
Name 2-CHLORO-5-CYANO-4-TRIFLUOROMETHYL-6-[3'-(N-TOLUENESULFONYL-6'-BROMO-INDOLYL)]-PYRIDINE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H12BrClF3N3O2S
InChI InChI=1S/C22H12BrClF3N3O2S/c1-12-2-5-14(6-3-12)33(31,32)30-11-17(15-7-4-13(23)8-19(15)30)21-16(10-28)18(22(25,26)27)9-20(24)29-21/h2-9,11H,1H3
InChIKey BTRICYIDNDKMEF-UHFFFAOYSA-N
Literature Reference Author W.N.XIONG,C.G.YANG,B.JIANG
Literature Reference Citation BIOORG.MED.CHEM.,9,1773(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00070-0
Solvent Unknown
Source File Reference UWMS21961