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2,2'-[Octa-2',4',6'-trien-1',8'-diylidene]-bis(1"',3"'-benzodithiol)
SpectraBase Compound ID JIXhO2Klc9G
InChI InChI=1S/C22H16S4/c1(3-5-15-21-23-17-11-7-8-12-18(17)24-21)2-4-6-16-22-25-19-13-9-10-14-20(19)26-22/h1-16H/b2-1+,5-3+,6-4+
InChIKey IKHLFLQUMKVYIL-CRQXNEITSA-N
Mol Weight 408.6 g/mol
Molecular Formula C22H16S4
Exact Mass 408.013485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4glPl2eUTM
Name 2,2'-[Octa-2',4',6'-trien-1',8'-diylidene]-bis(1"',3"'-benzodithiol)
Comments Less than 3 mono-isotopic peaks
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Formula C22H16S4
InChI InChI=1S/C22H16S4/c1(3-5-15-21-23-17-11-7-8-12-18(17)24-21)2-4-6-16-22-25-19-13-9-10-14-20(19)26-22/h1-16H/b2-1+,5-3+,6-4+
InChIKey IKHLFLQUMKVYIL-CRQXNEITSA-N
Molecular Weight 408.610 g/mol
SMILES C1(Sc2ccccc2S1)=C\C=C\C=C\C=C\C=C1Sc2ccccc2S1
SPLASH splash10-0a59-0004900000-8372ad5e7be897f1b11f
Source of Spectrum H-86-2607-9
Wiley ID 1525566