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2-((2E,4E,6E,8E,10E)-12-Oxo-dodeca-2,4,6,8,10-pentaenylidene)-[1,3]dithiole-4,5-dicarbonitrile
SpectraBase Compound ID 7GW4FvOgzyc
InChI InChI=1S/C17H12N2OS2/c18-13-15-16(14-19)22-17(21-15)11-9-7-5-3-1-2-4-6-8-10-12-20/h1-12H/b2-1+,5-3+,6-4+,9-7+,10-8+
InChIKey DGLDMSHKRBXKLQ-CLQTYQDTSA-N
Mol Weight 324.42 g/mol
Molecular Formula C17H12N2OS2
Exact Mass 324.039105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uH5P9Y2SmD
Name 2-((2E,4E,6E,8E,10E)-12-Oxo-dodeca-2,4,6,8,10-pentaenylidene)-[1,3]dithiole-4,5-dicarbonitrile
Alternate Name(s) 2-(12'-Oxododeca-2',4'-dienylidene)-1,3-dithiol-4,5-dicarbonitrile 2-[(2E,4E,6E,8E,10E)-12-oxo-2,4,6,8,10-dodecapentaenylidene]-1,3-dithiole-4,5-dicarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C17H12N2OS2
InChI InChI=1S/C17H12N2OS2/c18-13-15-16(14-19)22-17(21-15)11-9-7-5-3-1-2-4-6-8-10-12-20/h1-12H/b2-1+,5-3+,6-4+,9-7+,10-8+
InChIKey DGLDMSHKRBXKLQ-CLQTYQDTSA-N
Molecular Weight 324.416 g/mol
SMILES C1(=C(SC(S1)=C\C=C\C=C\C=C\C=C\C=C\C=O)C#N)C#N
SPLASH splash10-00di-0009000000-a26250fda851894b161b
Source of Spectrum H-86-2605-6
Wiley ID 1525570