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4,5-Bis[(2'-tosylethyl)thio]-1,3-dithiole-2-thione
SpectraBase Compound ID iOEEvBOzKT
InChI InChI=1S/C21H22O6S7/c1-15-3-7-17(8-4-15)33(22,23)26-11-13-29-19-20(32-21(28)31-19)30-14-12-27-34(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey RCPLDRAWQJUKDE-UHFFFAOYSA-N
Mol Weight 594.8 g/mol
Molecular Formula C21H22O6S7
Exact Mass 593.946137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyOFbrQ2rEV
Name 4,5-bis[(2'-Tosylethyl)thio]-1,3-dithiole-2-thione
Comments Computed using HOSE algorithm
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Exact Mass 593.946136640 u
Formula C21H22O6S7
InChI InChI=1S/C21H22O6S7/c1-15-3-7-17(8-4-15)33(22,23)26-11-13-29-19-20(32-21(28)31-19)30-14-12-27-34(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey RCPLDRAWQJUKDE-UHFFFAOYSA-N
Molecular Weight 594.821 g/mol
SMILES C1(SC(=C(S1)SCCOS(C1=CC=C(C=C1)C)(=O)=O)SCCOS(C1=CC=C(C=C1)C)(=O)=O)=S