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2-(2-Cyanoethylthio)-3-(3-iodopropylthio)-6,7-bis(methylthio)tetrathiafulvalene
SpectraBase Compound ID LXdeC8GW4ff
InChI InChI=1S/C14H16INS8/c1-17-9-10(18-2)22-13(21-9)14-23-11(19-7-3-5-15)12(24-14)20-8-4-6-16/h3-5,7-8H2,1-2H3
InChIKey QIIJYZXHTVTAAA-UHFFFAOYSA-N
Mol Weight 581.7 g/mol
Molecular Formula C14H16INS8
Exact Mass 580.809314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMq9iydmIgp
Name 2-(2-Cyanoethylthio)-3-(3-iodopropylthio)-6,7-bis(methylthio)tetrathiafulvalene
Alternate Name(s) 3-({2-[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-[(3-iodopropyl)sulfanyl]-2H-1,3-dithiol-4-yl}sulfanyl)propanenitrile
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Formula C14H16INS8
InChI InChI=1S/C14H16INS8/c1-17-9-10(18-2)22-13(21-9)14-23-11(19-7-3-5-15)12(24-14)20-8-4-6-16/h3-5,7-8H2,1-2H3
InChIKey QIIJYZXHTVTAAA-UHFFFAOYSA-N
Molecular Weight 581.673 g/mol
SMILES C1(=C2SC(SC)=C(S2)SC)SC(SCCC#N)=C(S1)SCCCI
SPLASH splash10-003r-0600290000-ea2916f9d61b8c705170
Source of Spectrum SO-0-1019-11
Wiley ID 874867