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3-Fluoro-2-(2,3-difluoro-4-N-octyloxy)-phenyl-5-(4-N-hexylphenyl)-pyridine

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3-Fluoro-2-(2,3-difluoro-4-N-octyloxy)-phenyl-5-(4-N-hexylphenyl)-pyridine
SpectraBase Compound ID Gnpqia8MO8L
InChI InChI=1S/C31H38F3NO/c1-3-5-7-9-10-12-20-36-28-19-18-26(29(33)30(28)34)31-27(32)21-25(22-35-31)24-16-14-23(15-17-24)13-11-8-6-4-2/h14-19,21-22H,3-13,20H2,1-2H3
InChIKey AEPHHFJRDRBYGU-UHFFFAOYSA-N
Mol Weight 497.6 g/mol
Molecular Formula C31H38F3NO
Exact Mass 497.290549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ar3FQ4HURmn
Name 3-Fluoro-2-(2,3-difluoro-4-N-octyloxy)-phenyl-5-(4-N-hexylphenyl)-pyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.290549336 u
Formula C31H38F3NO
InChI InChI=1S/C31H38F3NO/c1-3-5-7-9-10-12-20-36-28-19-18-26(29(33)30(28)34)31-27(32)21-25(22-35-31)24-16-14-23(15-17-24)13-11-8-6-4-2/h14-19,21-22H,3-13,20H2,1-2H3
InChIKey AEPHHFJRDRBYGU-UHFFFAOYSA-N
Molecular Weight 497.646 g/mol
SMILES C=1(F)C=C(C2=CC=C(CCCCCC)C=C2)C=NC1C1=C(F)C(F)=C(C=C1)OCCCCCCCC