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1"'-Iodo-3-bromo[1-[4-(2-phenyl-1,4-dihexylphenyl)phenyl]]benzene
SpectraBase Compound ID 6HfpZLsOqjg
InChI InChI=1S/C36H40BrI/c1-3-5-7-9-12-31-26-36(29-20-22-34(38)23-21-29)32(13-10-8-6-4-2)25-35(31)28-18-16-27(17-19-28)30-14-11-15-33(37)24-30/h11,14-26H,3-10,12-13H2,1-2H3
InChIKey VONZCSQLNLMOEF-UHFFFAOYSA-N
Mol Weight 679.5 g/mol
Molecular Formula C36H40BrI
Exact Mass 678.135809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6WpYwixmWQ
Name 1"'-Iodo-3-bromo[1-[4-(2-phenyl-1,4-dihexylphenyl)phenyl]]benzene
Alternate Name(s) 1'''-Iodo-3-bromo[1-[4-(2-phenyl-1,4-dihexylphenyl)phenyl]]benzene 1-[4-(3-bromophenyl)phenyl]-2,5-dihexyl-4-(4-iodophenyl)benzene
Comments Less than 3 mono-isotopic peaks
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Formula C36H40BrI
InChI InChI=1S/C36H40BrI/c1-3-5-7-9-12-31-26-36(29-20-22-34(38)23-21-29)32(13-10-8-6-4-2)25-35(31)28-18-16-27(17-19-28)30-14-11-15-33(37)24-30/h11,14-26H,3-10,12-13H2,1-2H3
InChIKey VONZCSQLNLMOEF-UHFFFAOYSA-N
Molecular Weight 679.524 g/mol
SMILES c1(cc(CCCCCC)c(cc1CCCCCC)-c1ccc(cc1)I)-c1ccc(-c2cc(Br)ccc2)cc1
SPLASH splash10-003r-0000009000-8d17e49596adf62208da
Source of Spectrum QE-5-427-11
Wiley ID 843875