3'-Bromo-5-iodobis[1-(1,4-dihexylphenyl)benzene]

SpectraBase Compound ID	HsZmEKgJX5x
InChI	InChI=1S/C48H64BrI/c1-5-9-13-17-23-40-34-46(39-29-22-30-44(49)32-39)41(24-18-14-10-6-2)33-45(40)37-27-21-28-38(31-37)47-35-43(26-20-16-12-8-4)48(50)36-42(47)25-19-15-11-7-3/h21-22,27-36H,5-20,23-26H2,1-4H3
InChIKey	GERZILXTCKWXSN-UHFFFAOYSA-N Google Search
Mol Weight	847.8 g/mol
Molecular Formula	C48H64BrI
Exact Mass	846.32361 g/mol

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SpectraBase Spectrum ID	GVDozAHiyZ5
Name	3'-Bromo-5-iodobis[1-(1,4-dihexylphenyl)benzene]
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C48H64BrI
InChI	InChI=1S/C48H64BrI/c1-5-9-13-17-23-40-34-46(39-29-22-30-44(49)32-39)41(24-18-14-10-6-2)33-45(40)37-27-21-28-38(31-37)47-35-43(26-20-16-12-8-4)48(50)36-42(47)25-19-15-11-7-3/h21-22,27-36H,5-20,23-26H2,1-4H3
InChIKey	GERZILXTCKWXSN-UHFFFAOYSA-N
Molecular Weight	847.848 g/mol
SMILES	c1(cc(CCCCCC)c(cc1CCCCCC)-c1cc(Br)ccc1)-c1cc(-c2cc(CCCCCC)c(cc2CCCCCC)I)ccc1
SPLASH	splash10-0002-0000000090-2cbcd115b15a91477ed1
Source of Spectrum	QE-5-425-2
Synonyms	3'-Bromo-5-iodobis[1'-(1,4-dihexylphen-2-yl)benzene]
Wiley ID	843887