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5,5"'-Dibromo-3,3'',3''',4,4'',4"'-hexabutyl-2,2':5',2":5",2"':5"',2""-quinquethiophene
SpectraBase Compound ID 9CtJjTGy0GN
InChI InChI=1S/C44H58Br2S5/c1-7-13-19-29-31(21-15-9-3)42(43-32(22-16-10-4)30(20-14-8-2)40(50-43)37-27-28-38(45)48-37)49-39(29)35-25-26-36(47-35)41-33(23-17-11-5)34(24-18-12-6)44(46)51-41/h25-28H,7-24H2,1-6H3
InChIKey ZSJLSULKFGGRHR-UHFFFAOYSA-N
Mol Weight 907.1 g/mol
Molecular Formula C44H58Br2S5
Exact Mass 904.150884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlVSaS6HYEX
Name 5,5"'-Dibromo-3,3'',3''',4,4'',4"'-hexabutyl-2,2':5',2":5",2"':5"',2""-quinquethiophene
Comments Less than 3 mono-isotopic peaks
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Formula C44H58Br2S5
InChI InChI=1S/C44H58Br2S5/c1-7-13-19-29-31(21-15-9-3)42(43-32(22-16-10-4)30(20-14-8-2)40(50-43)37-27-28-38(45)48-37)49-39(29)35-25-26-36(47-35)41-33(23-17-11-5)34(24-18-12-6)44(46)51-41/h25-28H,7-24H2,1-6H3
InChIKey ZSJLSULKFGGRHR-UHFFFAOYSA-N
Molecular Weight 907.056 g/mol
SMILES c1(-c2sc(-c3sc(-c4sc(Br)c(c4CCCC)CCCC)cc3)c(c2CCCC)CCCC)sc(-c2sc(Br)cc2)c(c1CCCC)CCCC
SPLASH splash10-0a4i-0000000019-f25f08f240448da9a921
Source of Spectrum KC-57-3790-16
Synonyms 2-{5-[5-(5-bromo-3,4-dibutylthiophen-2-yl)thiophen-2-yl]-3,4-dibutylthiophen-2-yl}-5-(5-bromothiophen-2-yl)-3,4-dibutylthiophene
Wiley ID 1623957