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5-Hexyl-2-[4-(4-octylphenyl)phenyl]pyridine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-Hexyl-2-[4-(4-octylphenyl)phenyl]pyridine
SpectraBase Compound ID FytBMvPM5Hr
InChI InChI=1S/C31H41N/c1-3-5-7-9-10-12-13-26-15-18-28(19-16-26)29-20-22-30(23-21-29)31-24-17-27(25-32-31)14-11-8-6-4-2/h15-25H,3-14H2,1-2H3
InChIKey PHBZGGGDWKTDEL-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C31H41N
Exact Mass 427.3239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4m8qGhM5Pr8
Name 5-Hexyl-2-[4-(4-octylphenyl)phenyl]pyridine
Comments Computed using HOSE algorithm
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Exact Mass 427.323900324 u
Formula C31H41N
InChI InChI=1S/C31H41N/c1-3-5-7-9-10-12-13-26-15-18-28(19-16-26)29-20-22-30(23-21-29)31-24-17-27(25-32-31)14-11-8-6-4-2/h15-25H,3-14H2,1-2H3
InChIKey PHBZGGGDWKTDEL-UHFFFAOYSA-N
Molecular Weight 427.676 g/mol
SMILES C1(=NC=C(C=C1)CCCCCC)C1=CC=C(C=C1)C1=CC=C(C=C1)CCCCCCCC