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2,7-Bis(5'-bromo-3,4'-dihexyl-5,2'-bithiophene-2-yl)-9,9'-spirobifluorene
SpectraBase Compound ID 3WkaMY6RziJ
InChI InChI=1S/C65H70Br2S4/c1-5-9-13-17-25-45-39-57(68-61(45)59-41-47(63(66)70-59)27-19-15-11-7-3)43-33-35-51-52-36-34-44(38-56(52)65(55(51)37-43)53-31-23-21-29-49(53)50-30-22-24-32-54(50)65)58-40-46(26-18-14-10-6-2)62(69-58)60-42-48(64(67)71-60)28-20-16-12-8-4/h21-24,29-42H,5-20,25-28H2,1-4H3
InChIKey JAIAHEVVDXVBSM-UHFFFAOYSA-N
Mol Weight 1139.3 g/mol
Molecular Formula C65H70Br2S4
Exact Mass 1136.272713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 307AYziIjQb
Name 2,7-Bis(5'-bromo-3,4'-dihexyl-5,2'-bithiophene-2-yl)-9,9'-spirobifluorene
Alternate Name(s) 2-bromo-5-[5-[7'-[5-(5-bromo-4-hexyl-2-thiophenyl)-4-hexyl-2-thiophenyl]-9,9'-spirobi[fluorene]-2'-yl]-3-hexyl-2-thiophenyl]-3-hexylthiophene 2-bromo-5-[5-[7'-[5-(5-bromo-4-hexylthiophen-2-yl)-4-hexylthiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-hexylthiophen-2-yl]-3-hexylthiophene 2-bromanyl-5-[5-[7'-[5-(5-bromanyl-4-hexyl-thiophen-2-yl)-4-hexyl-thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-hexyl-thiophen-2-yl]-3-hexyl-thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C65H70Br2S4
InChI InChI=1S/C65H70Br2S4/c1-5-9-13-17-25-45-39-57(68-61(45)59-41-47(63(66)70-59)27-19-15-11-7-3)43-33-35-51-52-36-34-44(38-56(52)65(55(51)37-43)53-31-23-21-29-49(53)50-30-22-24-32-54(50)65)58-40-46(26-18-14-10-6-2)62(69-58)60-42-48(64(67)71-60)28-20-16-12-8-4/h21-24,29-42H,5-20,25-28H2,1-4H3
InChIKey JAIAHEVVDXVBSM-UHFFFAOYSA-N
Molecular Weight 1139.323 g/mol
SMILES C12(c3c(ccc(-c4sc(-c5sc(Br)c(c5)CCCCCC)c(c4)CCCCCC)c3)-c3c1cc(-c1sc(-c4sc(Br)c(c4)CCCCCC)c(c1)CCCCCC)cc3)c1c(cccc1)-c1c2cccc1
SPLASH splash10-000l-0900000000-5903a019e6d97488749e
Source of Spectrum J-67-4935-14
Wiley ID 1570297