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3-Cyano-4-trifluoromethyl-2,6-bis-[3'-(N-toluenesulfonyl-5'-benzoxy-indolyl)]-pyridine

View entire compound with spectra: 2 NMR

3-Cyano-4-trifluoromethyl-2,6-bis-[3'-(N-toluenesulfonyl-5'-benzoxy-indolyl)]-pyridine
SpectraBase Compound ID 7O63bqEUn8J
InChI InChI=1S/C51H37F3N4O6S2/c1-33-13-19-39(20-14-33)65(59,60)57-29-44(41-25-37(17-23-48(41)57)63-31-35-9-5-3-6-10-35)47-27-46(51(52,53)54)43(28-55)50(56-47)45-30-58(66(61,62)40-21-15-34(2)16-22-40)49-24-18-38(26-42(45)49)64-32-36-11-7-4-8-12-36/h3-27,29-30H,31-32H2,1-2H3
InChIKey XXSWXONJSWVHDK-UHFFFAOYSA-N
Mol Weight 923.0 g/mol
Molecular Formula C51H37F3N4O6S2
Exact Mass 922.210662 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2I800V2JD6k
Name 3-CYANO-4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYL-5'-BENZOXY-INDOLYL)]-PYRIDINE
Compound Number 34
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H37F3N4O6S2
InChI InChI=1S/C51H37F3N4O6S2/c1-33-13-19-39(20-14-33)65(59,60)57-29-44(41-25-37(17-23-48(41)57)63-31-35-9-5-3-6-10-35)47-27-46(51(52,53)54)43(28-55)50(56-47)45-30-58(66(61,62)40-21-15-34(2)16-22-40)49-24-18-38(26-42(45)49)64-32-36-11-7-4-8-12-36/h3-27,29-30H,31-32H2,1-2H3
InChIKey XXSWXONJSWVHDK-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 UWMS21964