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2-bromanyl-5-[7'-(5-bromanyl-4-hexyl-thiophen-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-3-hexyl-thiophene
SpectraBase Compound ID 6ASiYBURgXu
InChI InChI=1S/C45H42Br2S2/c1-3-5-7-9-15-31-27-41(48-43(31)46)29-21-23-35-36-24-22-30(42-28-32(44(47)49-42)16-10-8-6-4-2)26-40(36)45(39(35)25-29)37-19-13-11-17-33(37)34-18-12-14-20-38(34)45/h11-14,17-28H,3-10,15-16H2,1-2H3
InChIKey PRLCASSFPDEVDQ-UHFFFAOYSA-N
Mol Weight 806.8 g/mol
Molecular Formula C45H42Br2S2
Exact Mass 804.10947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzW1BmBIn7Y
Name 2-bromanyl-5-[7'-(5-bromanyl-4-hexyl-thiophen-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-3-hexyl-thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C45H42Br2S2
InChI InChI=1S/C45H42Br2S2/c1-3-5-7-9-15-31-27-41(48-43(31)46)29-21-23-35-36-24-22-30(42-28-32(44(47)49-42)16-10-8-6-4-2)26-40(36)45(39(35)25-29)37-19-13-11-17-33(37)34-18-12-14-20-38(34)45/h11-14,17-28H,3-10,15-16H2,1-2H3
InChIKey PRLCASSFPDEVDQ-UHFFFAOYSA-N
Molecular Weight 806.759 g/mol
SMILES C12(c3cc(ccc3-c3ccc(cc13)-c1cc(c(s1)Br)CCCCCC)-c1cc(c(s1)Br)CCCCCC)c1ccccc1-c1ccccc21
SPLASH splash10-0a4i-0000000090-2c12e20657a9c9446a16
Source of Spectrum J-67-4935-10
Synonyms 2-bromo-5-[7'-(5-bromo-4-hexyl-2-thienyl)-9,9'-spirobi[fluorene]-2'-yl]-3-hexyl-thiophene 2-bromo-5-[7'-(5-bromo-4-hexyl-2-thiophenyl)-9,9'-spirobi[fluorene]-2'-yl]-3-hexylthiophene 2-bromo-5-[7'-(5-bromo-4-hexylthiophen-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-3-hexylthiophene
Wiley ID 1570299