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6-(4'-Dodecyloxybiphenyl-4-yl)-3-(4-dodecyloxyphenyl)-4-trifluoromethyl-pyridazine

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6-(4'-Dodecyloxybiphenyl-4-yl)-3-(4-dodecyloxyphenyl)-4-trifluoromethyl-pyridazine
SpectraBase Compound ID 4GeoQCxrUNE
InChI InChI=1S/C47H63F3N2O2/c1-3-5-7-9-11-13-15-17-19-21-35-53-42-31-27-39(28-32-42)38-23-25-40(26-24-38)45-37-44(47(48,49)50)46(52-51-45)41-29-33-43(34-30-41)54-36-22-20-18-16-14-12-10-8-6-4-2/h23-34,37H,3-22,35-36H2,1-2H3
InChIKey RLVQUIGWQQOOQQ-UHFFFAOYSA-N
Mol Weight 745.0 g/mol
Molecular Formula C47H63F3N2O2
Exact Mass 744.484164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPnPNhthAEr
Name 6-(4'-Dodecyloxybiphenyl-4-yl)-3-(4-dodecyloxyphenyl)-4-trifluoromethyl-pyridazine
Comments Computed using HOSE algorithm
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Exact Mass 744.484163764 u
Formula C47H63F3N2O2
InChI InChI=1S/C47H63F3N2O2/c1-3-5-7-9-11-13-15-17-19-21-35-53-42-31-27-39(28-32-42)38-23-25-40(26-24-38)45-37-44(47(48,49)50)46(52-51-45)41-29-33-43(34-30-41)54-36-22-20-18-16-14-12-10-8-6-4-2/h23-34,37H,3-22,35-36H2,1-2H3
InChIKey RLVQUIGWQQOOQQ-UHFFFAOYSA-N
Molecular Weight 745.028 g/mol
SMILES C(F)(C=1C(C2=CC=C(C=C2)OCCCCCCCCCCCC)=NN=C(C1)C1=CC=C(C=C1)C1=CC=C(C=C1)OCCCCCCCCCCCC)(F)F