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

View entire compound with spectra: 2 NMR

3-CYANO-4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYL-6'-METHOXYINDOLYL)]-PYRIDINE
SpectraBase Compound ID DxJIWl09HmS
InChI InChI=1S/C39H29F3N4O6S2/c1-23-5-11-27(12-6-23)53(47,48)45-21-32(29-15-9-25(51-3)17-36(29)45)35-19-34(39(40,41)42)31(20-43)38(44-35)33-22-46(37-18-26(52-4)10-16-30(33)37)54(49,50)28-13-7-24(2)8-14-28/h5-19,21-22H,1-4H3
InChIKey RYTPIFSOGXQHPH-UHFFFAOYSA-N
Mol Weight 770.8 g/mol
Molecular Formula C39H29F3N4O6S2
Exact Mass 770.148062 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dQ65uEzzos
Name 3-CYANO-4-TRIFLUOROMETHYL-2,6-BIS-[3'-(N-TOLUENESULFONYL-6'-METHOXYINDOLYL)]-PYRIDINE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H29F3N4O6S2
InChI InChI=1S/C39H29F3N4O6S2/c1-23-5-11-27(12-6-23)53(47,48)45-21-32(29-15-9-25(51-3)17-36(29)45)35-19-34(39(40,41)42)31(20-43)38(44-35)33-22-46(37-18-26(52-4)10-16-30(33)37)54(49,50)28-13-7-24(2)8-14-28/h5-19,21-22H,1-4H3
InChIKey RYTPIFSOGXQHPH-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 UWMS21973