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2,3,6,7-Tetrakis(2'-cyaoethylthio)tetrathiafulvalene
SpectraBase Compound ID m2w6ftOQ6E
InChI InChI=1S/C18H16N4S8/c19-5-1-9-23-13-14(24-10-2-6-20)28-17(27-13)18-29-15(25-11-3-7-21)16(30-18)26-12-4-8-22/h1-4,9-12H2
InChIKey OFNXHINRTQFOKX-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C18H16N4S8
Exact Mass 543.914066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETdvI8A9Rh7
Name 2,3,6,7-Tetrakis(2'-cyaoethylthio)tetrathiafulvalene
Alternate Name(s) 3-[[2-[4,5-bis(2-cyanoethylthio)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylthio)-1,3-dithiol-4-yl]thio]propanenitrile 3-[[2-[4,5-bis(2-cyanoethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile
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Formula C18H16N4S8
InChI InChI=1S/C18H16N4S8/c19-5-1-9-23-13-14(24-10-2-6-20)28-17(27-13)18-29-15(25-11-3-7-21)16(30-18)26-12-4-8-22/h1-4,9-12H2
InChIKey OFNXHINRTQFOKX-UHFFFAOYSA-N
Molecular Weight 544.834 g/mol
SMILES C1(=C2SC(SCCC#N)=C(S2)SCCC#N)SC(SCCC#N)=C(S1)SCCC#N
SPLASH splash10-0f6x-0352090000-f45739fa043d892de4ea
Source of Spectrum SO-0-811-11
Wiley ID 1545151