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2,3-Bis(2-cyanoethylthio)-6,7-bis(hydroxymethyl)tetrathiafulvalene
SpectraBase Compound ID HaLEPEZmlh
InChI InChI=1S/C14H14N2O2S6/c15-3-1-5-19-11-12(20-6-2-4-16)24-14(23-11)13-21-9(7-17)10(8-18)22-13/h17-18H,1-2,5-8H2
InChIKey COKUNSSZZLUTHR-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C14H14N2O2S6
Exact Mass 433.937955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsEZo1MYBAp
Name 2,3-Bis(2-cyanoethylthio)-6,7-bis(hydroxymethyl)tetrathiafulvalene
Alternate Name(s) 3-({2-[4,5-bis(hydroxymethyl)-2H-1,3-dithiol-2-ylidene]-5-[(2-cyanoethyl)sulfanyl]-2H-1,3-dithiol-4-yl}sulfanyl)propanenitrile 4,5-Bis(2-cyanoethylthio)-4',5'-bis(hydroxymethyl)tetrathiafulvalene
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Formula C14H14N2O2S6
InChI InChI=1S/C14H14N2O2S6/c15-3-1-5-19-11-12(20-6-2-4-16)24-14(23-11)13-21-9(7-17)10(8-18)22-13/h17-18H,1-2,5-8H2
InChIKey COKUNSSZZLUTHR-UHFFFAOYSA-N
Molecular Weight 434.638 g/mol
SMILES OCC=1SC(SC1CO)=C1SC(SCCC#N)=C(S1)SCCC#N
SPLASH splash10-0udi-9300000000-090bc14e0d1b52efc00f
Source of Spectrum SO-0-806-5
Wiley ID 876671