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4-Trimethylsilyl-3"'-bromo-1-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene dimer
SpectraBase Compound ID 4R7kjjTe5DK
InChI InChI=1S/C75H89BrSi/c1-8-12-16-20-26-66-53-73(61-44-38-58(39-45-61)65-32-25-33-70(76)51-65)67(27-21-17-13-9-2)52-72(66)59-40-34-56(35-41-59)63-30-24-31-64(50-63)57-36-42-60(43-37-57)74-54-69(29-23-19-15-11-4)75(55-68(74)28-22-18-14-10-3)62-46-48-71(49-47-62)77(5,6)7/h24-25,30-55H,8-23,26-29H2,1-7H3
InChIKey KKPCGHIBCWVFQD-UHFFFAOYSA-N
Mol Weight 1098.5 g/mol
Molecular Formula C75H89BrSi
Exact Mass 1096.591692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXjxWfJmwsG
Name 4-Trimethylsilyl-3"'-bromo-1-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene dimer
Alternate Name(s) 4-Trimethylsilyl-3'''-bromo-1'''-[4-(4-phenyl-3,6-dihexylphenyl)phenyl]benzene dimer
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C75H89BrSi
InChI InChI=1S/C75H89BrSi/c1-8-12-16-20-26-66-53-73(61-44-38-58(39-45-61)65-32-25-33-70(76)51-65)67(27-21-17-13-9-2)52-72(66)59-40-34-56(35-41-59)63-30-24-31-64(50-63)57-36-42-60(43-37-57)74-54-69(29-23-19-15-11-4)75(55-68(74)28-22-18-14-10-3)62-46-48-71(49-47-62)77(5,6)7/h24-25,30-55H,8-23,26-29H2,1-7H3
InChIKey KKPCGHIBCWVFQD-UHFFFAOYSA-N
Molecular Weight 1098.526 g/mol
SMILES c1(cc(CCCCCC)c(cc1CCCCCC)-c1ccc(-c2cc(Br)ccc2)cc1)-c1ccc(-c2cc(-c3ccc(-c4cc(CCCCCC)c(cc4CCCCCC)-c4ccc([Si](C)(C)C)cc4)cc3)ccc2)cc1
SPLASH splash10-0002-9100000000-7f9214ae9d8e944c528c
Source of Spectrum QE-5-427-9
Wiley ID 844076