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4,4'-bis[2''-(1,1'-binaphthyl)]-1,1'-biphenyl

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

4,4'-bis[2''-(1,1'-binaphthyl)]-1,1'-biphenyl
SpectraBase Compound ID 8sSBNCiPggT
InChI InChI=1S/C52H34/c1-5-17-43-37(11-1)15-9-21-49(43)51-45-19-7-3-13-39(45)31-33-47(51)41-27-23-35(24-28-41)36-25-29-42(30-26-36)48-34-32-40-14-4-8-20-46(40)52(48)50-22-10-16-38-12-2-6-18-44(38)50/h1-34H
InChIKey KKICKQMLNFWRAO-UHFFFAOYSA-N
Mol Weight 658.8 g/mol
Molecular Formula C52H34
Exact Mass 658.266051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gTcQMyyvb1
Name 4,4'-bis[2''-(1,1'-binaphthyl)]-1,1'-biphenyl
Comments Computed using HOSE algorithm
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Exact Mass 658.266051095 u
Formula C52H34
InChI InChI=1S/C52H34/c1-5-17-43-37(11-1)15-9-21-49(43)51-45-19-7-3-13-39(45)31-33-47(51)41-27-23-35(24-28-41)36-25-29-42(30-26-36)48-34-32-40-14-4-8-20-46(40)52(48)50-22-10-16-38-12-2-6-18-44(38)50/h1-34H
InChIKey KKICKQMLNFWRAO-UHFFFAOYSA-N
SMILES C1(C=2C=3C(C=CC2)=CC=CC3)=C(C=CC=2C1=CC=CC2)C1=CC=C(C2=CC=C(C=3C(C4=C5C(C=CC=C5)=CC=C4)=C4C(C=CC=C4)=CC3)C=C2)C=C1