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4-Iodo-3"'-bromo-1-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene dimer
SpectraBase Compound ID 3H5Yv0dJ8tk
InChI InChI=1S/C72H80BrI/c1-5-9-13-17-23-63-50-70(58-41-35-55(36-42-58)62-29-22-30-67(73)48-62)64(24-18-14-10-6-2)49-69(63)56-37-31-53(32-38-56)60-27-21-28-61(47-60)54-33-39-57(40-34-54)71-51-66(26-20-16-12-8-4)72(59-43-45-68(74)46-44-59)52-65(71)25-19-15-11-7-3/h21-22,27-52H,5-20,23-26H2,1-4H3
InChIKey XWROGJDVYUJUOP-UHFFFAOYSA-N
Mol Weight 1152.2 g/mol
Molecular Formula C72H80BrI
Exact Mass 1150.448811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3Ix5ZZNPRw
Name 4-Iodo-3"'-bromo-1-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene dimer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C72H80BrI
InChI InChI=1S/C72H80BrI/c1-5-9-13-17-23-63-50-70(58-41-35-55(36-42-58)62-29-22-30-67(73)48-62)64(24-18-14-10-6-2)49-69(63)56-37-31-53(32-38-56)60-27-21-28-61(47-60)54-33-39-57(40-34-54)71-51-66(26-20-16-12-8-4)72(59-43-45-68(74)46-44-59)52-65(71)25-19-15-11-7-3/h21-22,27-52H,5-20,23-26H2,1-4H3
InChIKey XWROGJDVYUJUOP-UHFFFAOYSA-N
Molecular Weight 1152.240 g/mol
SMILES c1(cc(CCCCCC)c(cc1CCCCCC)-c1ccc(-c2cc(Br)ccc2)cc1)-c1ccc(-c2cc(-c3ccc(-c4cc(CCCCCC)c(cc4CCCCCC)-c4ccc(cc4)I)cc3)ccc2)cc1
SPLASH splash10-0udi-0900000000-967afdd8399972a901d3
Source of Spectrum QE-5-427-11
Synonyms 4-Iodo-3'''-bromo-1'''-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene dimer
Wiley ID 844075