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4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYL-5'-BENZOXY-INDOLYL)]-PYRIDINE

View entire compound with spectra: 1 NMR

4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYL-5'-BENZOXY-INDOLYL)]-PYRIDINE
SpectraBase Compound ID HduIZutDjhQ
InChI InChI=1S/C50H38F3N3O6S2/c1-33-13-19-40(20-14-33)63(57,58)55-29-44(42-27-38(17-23-48(42)55)61-31-35-9-5-3-6-10-35)46-25-37(50(51,52)53)26-47(54-46)45-30-56(64(59,60)41-21-15-34(2)16-22-41)49-24-18-39(28-43(45)49)62-32-36-11-7-4-8-12-36/h3-30H,31-32H2,1-2H3
InChIKey RNPQOIXUBPQCLP-UHFFFAOYSA-N
Mol Weight 898.0 g/mol
Molecular Formula C50H38F3N3O6S2
Exact Mass 897.215413 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWvmcST4uts
Name 4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYL-5'-BENZOXY-INDOLYL)]-PYRIDINE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H38F3N3O6S2
InChI InChI=1S/C50H38F3N3O6S2/c1-33-13-19-40(20-14-33)63(57,58)55-29-44(42-27-38(17-23-48(42)55)61-31-35-9-5-3-6-10-35)46-25-37(50(51,52)53)26-47(54-46)45-30-56(64(59,60)41-21-15-34(2)16-22-41)49-24-18-39(28-43(45)49)62-32-36-11-7-4-8-12-36/h3-30H,31-32H2,1-2H3
InChIKey RNPQOIXUBPQCLP-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 UWMS21957