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2,3,6,7-Tetrakis(acetylthiomethyl)tetrathiafulvalene
SpectraBase Compound ID EdFndVchrHT
InChI InChI=1S/C18H20O4S8/c1-9(19)23-5-13-14(6-24-10(2)20)28-17(27-13)18-29-15(7-25-11(3)21)16(30-18)8-26-12(4)22/h5-8H2,1-4H3
InChIKey LODHOQDRMNPXHY-UHFFFAOYSA-N
Mol Weight 556.8 g/mol
Molecular Formula C18H20O4S8
Exact Mass 555.912729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NvDF6Pki6D
Name 2,3,6,7-Tetrakis(acetylthiomethyl)tetrathiafulvalene
Alternate Name(s) 1-[({5-[(acetylsulfanyl)methyl]-2-{4,5-bis[(acetylsulfanyl)methyl]-2H-1,3-dithiol-2-ylidene}-2H-1,3-dithiol-4-yl}methyl)sulfanyl]ethan-1-one 4,5,4',5'-Tetrakis(acetylthiomethyl)tetrathiafulvalene
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Formula C18H20O4S8
InChI InChI=1S/C18H20O4S8/c1-9(19)23-5-13-14(6-24-10(2)20)28-17(27-13)18-29-15(7-25-11(3)21)16(30-18)8-26-12(4)22/h5-8H2,1-4H3
InChIKey LODHOQDRMNPXHY-UHFFFAOYSA-N
Molecular Weight 556.834 g/mol
SMILES C1(=C2SC(CSC(=O)C)=C(S2)CSC(=O)C)SC(CSC(=O)C)=C(S1)CSC(=O)C
SPLASH splash10-052f-9010330000-d355e1c82d2a9166f11f
Source of Spectrum QE-7-5080-14
Wiley ID 846078