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4,5-Bis(methylsulfanyl)-4',5'-bis[2-(methanesulfonyloxyethoxy)ethylsulfanyl]tetrathiafulvalene
SpectraBase Compound ID G9HJ2JJFsYj
InChI InChI=1S/C18H28O8S10/c1-27-13-14(28-2)32-17(31-13)18-33-15(29-11-9-23-5-7-25-35(3,19)20)16(34-18)30-12-10-24-6-8-26-36(4,21)22/h5-12H2,1-4H3
InChIKey YEOUGFPXVKOHLU-UHFFFAOYSA-N
Mol Weight 693.0 g/mol
Molecular Formula C18H28O8S10
Exact Mass 691.89913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnT99M4OxxP
Name 4,5-Bis(methylsulfanyl)-4',5'-bis[2-(methanesulfonyloxyethoxy)ethylsulfanyl]tetrathiafulvalene
Alternate Name(s) 2-[2-({2-[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-5-({2-[2-(methanesulfonyloxy)ethoxy]ethyl}sulfanyl)-2H-1,3-dithiol-4-yl}sulfanyl)ethoxy]ethyl methanesulfonate 4,5-Bis(methylsulfanyl)-4',5'-bis[2-(methanesulfonylethoxy)ethylsulfanyl]tetrathiafulvalene
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Formula C18H28O8S10
InChI InChI=1S/C18H28O8S10/c1-27-13-14(28-2)32-17(31-13)18-33-15(29-11-9-23-5-7-25-35(3,19)20)16(34-18)30-12-10-24-6-8-26-36(4,21)22/h5-12H2,1-4H3
InChIKey YEOUGFPXVKOHLU-UHFFFAOYSA-N
Molecular Weight 693.014 g/mol
SMILES C1(=C2SC(SCCOCCOS(=O)(=O)C)=C(S2)SCCOCCOS(=O)(=O)C)SC(SC)=C(S1)SC
SPLASH splash10-0096-7610009000-04daa9848f49a46c723a
Source of Spectrum SO-0-828-7
Wiley ID 877706