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4-(4-(Trifluoromethyl)phenyl)-2,3,5,6-tetrakis((4-methoxyphenyl) ethynyl)pyridine

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4-(4-(Trifluoromethyl)phenyl)-2,3,5,6-tetrakis((4-methoxyphenyl) ethynyl)pyridine
SpectraBase Compound ID gpsd3dhLYN
InChI InChI=1S/C48H32F3NO4/c1-53-39-21-5-33(6-22-39)13-29-43-45(31-15-35-9-25-41(55-3)26-10-35)52-46(32-16-36-11-27-42(56-4)28-12-36)44(30-14-34-7-23-40(54-2)24-8-34)47(43)37-17-19-38(20-18-37)48(49,50)51/h5-12,17-28H,1-4H3
InChIKey OKZCJDLIJSQCIC-UHFFFAOYSA-N
Mol Weight 743.8 g/mol
Molecular Formula C48H32F3NO4
Exact Mass 743.228343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlGfcZ4uWq1
Name 4-(4-(Trifluoromethyl)phenyl)-2,3,5,6-tetrakis((4-methoxyphenyl) ethynyl)pyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 743.228342999 u
Formula C48H32F3NO4
InChI InChI=1S/C48H32F3NO4/c1-53-39-21-5-33(6-22-39)13-29-43-45(31-15-35-9-25-41(55-3)26-10-35)52-46(32-16-36-11-27-42(56-4)28-12-36)44(30-14-34-7-23-40(54-2)24-8-34)47(43)37-17-19-38(20-18-37)48(49,50)51/h5-12,17-28H,1-4H3
InChIKey OKZCJDLIJSQCIC-UHFFFAOYSA-N
Molecular Weight 743.782 g/mol
SMILES C=1(C#CC2=CC=C(C=C2)OC)C(C2=CC=C(C(F)(F)F)C=C2)=C(C(C#CC2=CC=C(C=C2)OC)=NC1C#CC1=CC=C(C=C1)OC)C#CC1=CC=C(C=C1)OC