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5,6-DIHYDRO-5-METHYLCYCLOPENTA-[C]-[1.2]-DITHIOLE-3-(4-H)-THIONE
SpectraBase Compound ID BBm2S45zzx2
InChI InChI=1S/C7H8S3/c1-4-2-5-6(3-4)9-10-7(5)8/h4H,2-3H2,1H3
InChIKey FMOJKTNJTYDXLK-UHFFFAOYSA-N
Mol Weight 188.32 g/mol
Molecular Formula C7H8S3
Exact Mass 187.978814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcO2M1uDmWW
Name 5,6-DIHYDRO-5-METHYLCYCLOPENTA-[C]-[1.2]-DITHIOLE-3-(4-H)-THIONE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8S3
InChI InChI=1S/C7H8S3/c1-4-2-5-6(3-4)9-10-7(5)8/h4H,2-3H2,1H3
InChIKey FMOJKTNJTYDXLK-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 188.321 g/mol
Solvent CDCl3
Source File Reference UWMZ46166