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4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYLINDOLYL)]-PYRIDINE
SpectraBase Compound ID CdpNrhq8Qts
InChI InChI=1S/C36H26F3N3O4S2/c1-23-11-15-26(16-12-23)47(43,44)41-21-30(28-7-3-5-9-34(28)41)32-19-25(36(37,38)39)20-33(40-32)31-22-42(35-10-6-4-8-29(31)35)48(45,46)27-17-13-24(2)14-18-27/h3-22H,1-2H3
InChIKey DTIIPBOOHMSEMK-UHFFFAOYSA-N
Mol Weight 685.7 g/mol
Molecular Formula C36H26F3N3O4S2
Exact Mass 685.131683 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJUrWc832j2
Name 4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYLINDOLYL)]-PYRIDINE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H26F3N3O4S2
InChI InChI=1S/C36H26F3N3O4S2/c1-23-11-15-26(16-12-23)47(43,44)41-21-30(28-7-3-5-9-34(28)41)32-19-25(36(37,38)39)20-33(40-32)31-22-42(35-10-6-4-8-29(31)35)48(45,46)27-17-13-24(2)14-18-27/h3-22H,1-2H3
InChIKey DTIIPBOOHMSEMK-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 UWMS21955