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ETHYL-3,4,5,6-TETRAHYDRO-3-THIOXOCYCLOPENTA-[C]-[1.2]-DITHIOLE-5-CARBOXYLATE
SpectraBase Compound ID 3ElkDNd3f9g
InChI InChI=1S/C9H10O2S3/c1-2-11-8(10)5-3-6-7(4-5)13-14-9(6)12/h5H,2-4H2,1H3
InChIKey APZCCORPJAWLPK-UHFFFAOYSA-N
Mol Weight 246.36 g/mol
Molecular Formula C9H10O2S3
Exact Mass 245.984293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fUGjMW1f2Q
Name ETHYL-3,4,5,6-TETRAHYDRO-3-THIOXOCYCLOPENTA-[C]-[1.2]-DITHIOLE-5-CARBOXYLATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10O2S3
InChI InChI=1S/C9H10O2S3/c1-2-11-8(10)5-3-6-7(4-5)13-14-9(6)12/h5H,2-4H2,1H3
InChIKey APZCCORPJAWLPK-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 246.357 g/mol
Solvent CDCl3
Source File Reference UWMZ46165