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3-Cyano-4-trifluoromethyl-2,6-bis-[3'-(N-toluenesulfonyl-indolyl)]-pyridine

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3-Cyano-4-trifluoromethyl-2,6-bis-[3'-(N-toluenesulfonyl-indolyl)]-pyridine
SpectraBase Compound ID 9aFwQRHWknv
InChI InChI=1S/C37H25F3N4O4S2/c1-23-11-15-25(16-12-23)49(45,46)43-21-30(27-7-3-5-9-34(27)43)33-19-32(37(38,39)40)29(20-41)36(42-33)31-22-44(35-10-6-4-8-28(31)35)50(47,48)26-17-13-24(2)14-18-26/h3-19,21-22H,1-2H3
InChIKey XIFYVMKXYABQIF-UHFFFAOYSA-N
Mol Weight 710.7 g/mol
Molecular Formula C37H25F3N4O4S2
Exact Mass 710.126932 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24owCcX7yAA
Name 3-CYANO-4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYL-INDOLYL)]-PYRIDINE
Compound Number 29
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H25F3N4O4S2
InChI InChI=1S/C37H25F3N4O4S2/c1-23-11-15-25(16-12-23)49(45,46)43-21-30(27-7-3-5-9-34(27)43)33-19-32(37(38,39)40)29(20-41)36(42-33)31-22-44(35-10-6-4-8-28(31)35)50(47,48)26-17-13-24(2)14-18-26/h3-19,21-22H,1-2H3
InChIKey XIFYVMKXYABQIF-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 UWMS21962