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6-[4'-(OCT-1-YNYL)-BIPHENYL-4-YL]-3-[4-(OCT-1-YNYL)-PHENYL]-4-TRIFLUOROMETHYL-PYRIDAZINE

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6-[4'-(OCT-1-YNYL)-BIPHENYL-4-YL]-3-[4-(OCT-1-YNYL)-PHENYL]-4-TRIFLUOROMETHYL-PYRIDAZINE
SpectraBase Compound ID KI8nSlZx3Iy
InChI InChI=1S/C39H47F3N2/c1-3-5-7-9-11-13-15-30-17-21-32(22-18-30)33-25-27-34(28-26-33)37-29-36(39(40,41)42)38(44-43-37)35-23-19-31(20-24-35)16-14-12-10-8-6-4-2/h17-29H,3-16H2,1-2H3
InChIKey XVHLEUIBUGTDEM-UHFFFAOYSA-N
Mol Weight 600.8 g/mol
Molecular Formula C39H47F3N2
Exact Mass 600.369134 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52Ft797n39y
Name 6-[4'-(OCT-1-YNYL)-BIPHENYL-4-YL]-3-[4-(OCT-1-YNYL)-PHENYL]-4-TRIFLUOROMETHYL-PYRIDAZINE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H47F3N2
InChI InChI=1S/C39H47F3N2/c1-3-5-7-9-11-13-15-30-17-21-32(22-18-30)33-25-27-34(28-26-33)37-29-36(39(40,41)42)38(44-43-37)35-23-19-31(20-24-35)16-14-12-10-8-6-4-2/h17-29H,3-16H2,1-2H3
InChIKey XVHLEUIBUGTDEM-UHFFFAOYSA-N
Literature Reference Author S.ACHELLE,N.PLE,A.TURCK,J.P.BOUILLON,C.PORTELLA
Literature Reference Citation J.HETCYCL.CHEM.,43,1243(2006)
Literature Reference DOI 10.1002/jhet.5570430516
Solvent CDCl3
Source File Reference UWLU67671