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3,3''',3'''''-TRIS-(BUTYLSULFANYL)-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-SEXATHIOPHENE
SpectraBase Compound ID FqBCw72f2W3
InChI InChI=1S/C36H38S9/c1-4-7-18-37-27-16-21-40-34(27)29-13-10-24(42-29)25-11-15-31(43-25)36-33(39-20-9-6-3)23-32(45-36)26-12-14-30(44-26)35-28(17-22-41-35)38-19-8-5-2/h10-17,21-23H,4-9,18-20H2,1-3H3
InChIKey RWZNUEAMQLFYOF-UHFFFAOYSA-N
Mol Weight 759.2 g/mol
Molecular Formula C36H38S9
Exact Mass 758.045992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QZyALfRY1L
Name 3,3''',3'"'-tris(Butylsulfanyl)-2,2' : 5',2" : 5",2"' : 5"',2"" : 5"",2""'-hexathiophene
Alternate Name(s) 3,3''',3''''-tris(Butylsulfanyl)-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-hexathiophene 3-(butylthio)-5-[5-[3-(butylthio)-2-thiophenyl]-2-thiophenyl]-2-[5-[5-[3-(butylthio)-2-thiophenyl]-2-thiophenyl]-2-thiophenyl]thiophene 3-butylsulfanyl-5-[5-(3-butylsulfanyl-2-thienyl)-2-thienyl]-2-[5-[5-(3-butylsulfanyl-2-thienyl)-2-thienyl]-2-thienyl]thiophene 3-butylsulfanyl-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]-2-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C36H38S9
InChI InChI=1S/C36H38S9/c1-4-7-18-37-27-16-21-40-34(27)29-13-10-24(42-29)25-11-15-31(43-25)36-33(39-20-9-6-3)23-32(45-36)26-12-14-30(44-26)35-28(17-22-41-35)38-19-8-5-2/h10-17,21-23H,4-9,18-20H2,1-3H3
InChIKey RWZNUEAMQLFYOF-UHFFFAOYSA-N
Molecular Weight 759.240 g/mol
SMILES c1(sc(-c2sc(-c3c(ccs3)SCCCC)cc2)cc1SCCCC)-c1sc(-c2sc(-c3c(ccs3)SCCCC)cc2)cc1
SPLASH splash10-0bt9-0000000900-b0c20ec31342fe65c96f
Source of Spectrum Y-36-247-6
Wiley ID 762021