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2,2-Bis[5-(1,4-benzodithiafulven-6-yl)-2-thienyl]propane
SpectraBase Compound ID KK7fciXO0gj
InChI InChI=1S/C27H20S6/c1-27(2,23-13-11-17(28-23)15-25-30-19-7-3-4-8-20(19)31-25)24-14-12-18(29-24)16-26-32-21-9-5-6-10-22(21)33-26/h3-16H,1-2H3
InChIKey MHYYMJLDNORGRO-UHFFFAOYSA-N
Mol Weight 536.8 g/mol
Molecular Formula C27H20S6
Exact Mass 535.988928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7G4lHt8wnEp
Name 2,2-Bis[5-(1,4-benzodithiafulven-6-yl)-2-thienyl]propane
Comments Less than 3 mono-isotopic peaks
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Formula C27H20S6
InChI InChI=1S/C27H20S6/c1-27(2,23-13-11-17(28-23)15-25-30-19-7-3-4-8-20(19)31-25)24-14-12-18(29-24)16-26-32-21-9-5-6-10-22(21)33-26/h3-16H,1-2H3
InChIKey MHYYMJLDNORGRO-UHFFFAOYSA-N
Molecular Weight 536.817 g/mol
SMILES C1(=Cc2sc(C(c3sc(C=C4Sc5ccccc5S4)cc3)(C)C)cc2)Sc2ccccc2S1
SPLASH splash10-00di-0000090000-0b65b0d8a540435ec233
Source of Spectrum H1-44-272-13
Synonyms 2-[(5-{1-[5-(1,3-benzodithiol-2-ylidenemethyl)-2-thienyl]-1-methylethyl}-2-thienyl)methylene]-1,3-benzodithiole
Wiley ID 758274