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Bis[5-[2,3-di(methylthio)-1,4-benzodithiafulven-6-yl]-2-thienyl]methane
SpectraBase Compound ID CH3ompb9yQq
InChI InChI=1S/C21H20S10/c1-22-18-19(23-2)29-16(28-18)10-14-7-5-12(26-14)9-13-6-8-15(27-13)11-17-30-20(24-3)21(25-4)31-17/h5-8,10-11H,9H2,1-4H3
InChIKey SPGZVSBMCWHMFV-UHFFFAOYSA-N
Mol Weight 593.0 g/mol
Molecular Formula C21H20S10
Exact Mass 591.877212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPl3wkJ8eOx
Name Bis[5-[2,3-di(methylthio)-1,4-benzodithiafulven-6-yl]-2-thienyl]methane
Alternate Name(s) 2-({5-[(5-{[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]methyl}-2-thienyl)methyl]-2-thienyl}methylene)-4,5-bis(methylsulfanyl)-1,3-dithiole
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Formula C21H20S10
InChI InChI=1S/C21H20S10/c1-22-18-19(23-2)29-16(28-18)10-14-7-5-12(26-14)9-13-6-8-15(27-13)11-17-30-20(24-3)21(25-4)31-17/h5-8,10-11H,9H2,1-4H3
InChIKey SPGZVSBMCWHMFV-UHFFFAOYSA-N
Molecular Weight 592.991 g/mol
SMILES C1(SC(SC)=C(S1)SC)=Cc1sc(Cc2sc(C=C3SC(SC)=C(S3)SC)cc2)cc1
SPLASH splash10-0006-3200090000-a76e4840c126b208d299
Source of Spectrum H1-44-270-5
Wiley ID 758279