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METHYL-3,4,5,6-TETRAHYDRO-3-THIOXOCYCLOPENTA-[C]-[1.2]-DITHIOLE-6-CARBOXYLATE
SpectraBase Compound ID EVjQ3ieUm0Q
InChI InChI=1S/C8H8O2S3/c1-10-7(9)4-2-3-5-6(4)12-13-8(5)11/h4H,2-3H2,1H3
InChIKey CMDYQGNCNCPHGR-UHFFFAOYSA-N
Mol Weight 232.33 g/mol
Molecular Formula C8H8O2S3
Exact Mass 231.968643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20Kjc1VdZyx
Name METHYL-3,4,5,6-TETRAHYDRO-3-THIOXOCYCLOPENTA-[C]-[1.2]-DITHIOLE-6-CARBOXYLATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8O2S3
InChI InChI=1S/C8H8O2S3/c1-10-7(9)4-2-3-5-6(4)12-13-8(5)11/h4H,2-3H2,1H3
InChIKey CMDYQGNCNCPHGR-UHFFFAOYSA-N
Literature Reference Author R.MUNDAY,Y.ZHANG,J.D.PAONESSA,C.M.MINDAY,A.L.WILKINS,J.BABU
Literature Reference Citation J.MED.CHEM.,53,4761(2010)
Literature Reference DOI 10.1021/jm100425v
Molecular Weight 232.330 g/mol
Solvent CDCl3
Source File Reference UWMZ46162