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1,4-Bis(5-bromo-3-octylthio-2-thienyl)benzene
SpectraBase Compound ID 9Z4uInfCBTI
InChI InChI=1S/C30H40Br2S4/c1-3-5-7-9-11-13-19-33-25-21-27(31)35-29(25)23-15-17-24(18-16-23)30-26(22-28(32)36-30)34-20-14-12-10-8-6-4-2/h15-18,21-22H,3-14,19-20H2,1-2H3
InChIKey ZBQRBROKRSGGDJ-UHFFFAOYSA-N
Mol Weight 688.7 g/mol
Molecular Formula C30H40Br2S4
Exact Mass 686.037962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rgWRKl2zXj
Name 1,4-Bis(5-bromo-3-octylthio-2-thienyl)benzene
Alternate Name(s) 5-bromo-2-{4-[5-bromo-3-(octylsulfanyl)-2-thienyl]phenyl}-3-(octylsulfanyl)thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C30H40Br2S4
InChI InChI=1S/C30H40Br2S4/c1-3-5-7-9-11-13-19-33-25-21-27(31)35-29(25)23-15-17-24(18-16-23)30-26(22-28(32)36-30)34-20-14-12-10-8-6-4-2/h15-18,21-22H,3-14,19-20H2,1-2H3
InChIKey ZBQRBROKRSGGDJ-UHFFFAOYSA-N
Molecular Weight 688.698 g/mol
SMILES c1(ccc(cc1)-c1c(cc(s1)Br)SCCCCCCCC)-c1c(cc(s1)Br)SCCCCCCCC
SPLASH splash10-000f-3000009000-7a0e88eb98630d11a3b6
Source of Spectrum AJ-76-1457-5
Wiley ID 1577293