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4-TRIFLUOROMETHYL-2-[3'-(N-TOLUENESULFONYL-5'-BROMOINDOLYL)]-PYRIDINE

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4-TRIFLUOROMETHYL-2-[3'-(N-TOLUENESULFONYL-5'-BROMOINDOLYL)]-PYRIDINE
SpectraBase Compound ID 6VYKkKueMfv
InChI InChI=1S/2C21H14BrF3N2O2S/c2*1-13-2-5-16(6-3-13)30(28,29)27-12-18(17-11-15(22)4-7-20(17)27)19-10-14(8-9-26-19)21(23,24)25/h2*2-12H,1H3
InChIKey AZNNSZRJPYNASI-UHFFFAOYSA-N
Mol Weight 990.63 g/mol
Molecular Formula C42H28Br2F6N4O4S2
Exact Mass 987.982293 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMHjZkrjWXo
Name 4-TRIFLUOROMETHYL-2-[3'-(N-TOLUENESULFONYL-5'-BROMOINDOLYL)]-PYRIDINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H28Br2F6N4O4S2
InChI InChI=1S/2C21H14BrF3N2O2S/c2*1-13-2-5-16(6-3-13)30(28,29)27-12-18(17-11-15(22)4-7-20(17)27)19-10-14(8-9-26-19)21(23,24)25/h2*2-12H,1H3
InChIKey AZNNSZRJPYNASI-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 CDCl3
Source File Reference UWMS21968