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2-METHOXY-5-CYANO-4-TRIFLUOROMETHYL-6-[3'-(N-TOLUENESULFONYL-5'-METHOXYINDOLYL)]-PYRIDINE

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2-METHOXY-5-CYANO-4-TRIFLUOROMETHYL-6-[3'-(N-TOLUENESULFONYL-5'-METHOXYINDOLYL)]-PYRIDINE
SpectraBase Compound ID BzVyAM8slXw
InChI InChI=1S/2C24H18F3N3O4S/c2*1-14-4-7-16(8-5-14)35(31,32)30-13-19(17-10-15(33-2)6-9-21(17)30)23-18(12-28)20(24(25,26)27)11-22(29-23)34-3/h2*4-11,13H,1-3H3
InChIKey POJZDXLSBDICRG-UHFFFAOYSA-N
Mol Weight 1002.96 g/mol
Molecular Formula C48H36F6N6O8S2
Exact Mass 1002.194023 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Sm33CdebSo
Name 2-METHOXY-5-CYANO-4-TRIFLUOROMETHYL-6-[3'-(N-TOLUENESULFONYL-5'-METHOXYINDOLYL)]-PYRIDINE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H36F6N6O8S2
InChI InChI=1S/2C24H18F3N3O4S/c2*1-14-4-7-16(8-5-14)35(31,32)30-13-19(17-10-15(33-2)6-9-21(17)30)23-18(12-28)20(24(25,26)27)11-22(29-23)34-3/h2*4-11,13H,1-3H3
InChIKey POJZDXLSBDICRG-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 UWMS21971