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2,3,5,6-Tetrakis(4-phenoxyphenyl)-4-[4-(trifluoromethyl)-phenyl]pyridine

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

2,3,5,6-Tetrakis(4-phenoxyphenyl)-4-[4-(trifluoromethyl)-phenyl]pyridine
SpectraBase Compound ID 9E59FNB5VRJ
InChI InChI=1S/C60H40F3NO4/c61-60(62,63)46-31-21-41(22-32-46)55-56(42-23-33-51(34-24-42)65-47-13-5-1-6-14-47)58(44-27-37-53(38-28-44)67-49-17-9-3-10-18-49)64-59(45-29-39-54(40-30-45)68-50-19-11-4-12-20-50)57(55)43-25-35-52(36-26-43)66-48-15-7-2-8-16-48/h1-40H
InChIKey CPDFGAFCFLOCAI-UHFFFAOYSA-N
Mol Weight 896.0 g/mol
Molecular Formula C60H40F3NO4
Exact Mass 895.290943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AmkhDyFbSZx
Name 2,3,5,6-Tetrakis(4-phenoxyphenyl)-4-[4-(trifluoromethyl)-phenyl]pyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 895.290943257 u
Formula C60H40F3NO4
InChI InChI=1S/C60H40F3NO4/c61-60(62,63)46-31-21-41(22-32-46)55-56(42-23-33-51(34-24-42)65-47-13-5-1-6-14-47)58(44-27-37-53(38-28-44)67-49-17-9-3-10-18-49)64-59(45-29-39-54(40-30-45)68-50-19-11-4-12-20-50)57(55)43-25-35-52(36-26-43)66-48-15-7-2-8-16-48/h1-40H
InChIKey CPDFGAFCFLOCAI-UHFFFAOYSA-N
Molecular Weight 895.978 g/mol
SMILES C=1(N=C(C(=C(C1C1=CC=C(OC2=CC=CC=C2)C=C1)C=1C=CC(C(F)(F)F)=CC1)C=1C=CC(OC2=CC=CC=C2)=CC1)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=CC=C(OC2=CC=CC=C2)C=C1