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6-(4'-DODECYLBIPHENYL-4-YL)-3-(4-DODECYLPHENYL)-4-TRIFLUOROMETHYL-PYRIDAZINE

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6-(4'-DODECYLBIPHENYL-4-YL)-3-(4-DODECYLPHENYL)-4-TRIFLUOROMETHYL-PYRIDAZINE
SpectraBase Compound ID 3OEkc9FZ5VK
InChI InChI=1S/C47H63F3N2/c1-3-5-7-9-11-13-15-17-19-21-23-38-25-29-40(30-26-38)41-33-35-42(36-34-41)45-37-44(47(48,49)50)46(52-51-45)43-31-27-39(28-32-43)24-22-20-18-16-14-12-10-8-6-4-2/h25-37H,3-24H2,1-2H3
InChIKey SMNVOSKQNBFXCI-UHFFFAOYSA-N
Mol Weight 713.0 g/mol
Molecular Formula C47H63F3N2
Exact Mass 712.494335 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57ZudUvSkL0
Name 6-(4'-DODECYLBIPHENYL-4-YL)-3-(4-DODECYLPHENYL)-4-TRIFLUOROMETHYL-PYRIDAZINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H63F3N2
InChI InChI=1S/C47H63F3N2/c1-3-5-7-9-11-13-15-17-19-21-23-38-25-29-40(30-26-38)41-33-35-42(36-34-41)45-37-44(47(48,49)50)46(52-51-45)43-31-27-39(28-32-43)24-22-20-18-16-14-12-10-8-6-4-2/h25-37H,3-24H2,1-2H3
InChIKey SMNVOSKQNBFXCI-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 UWLU67670