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5-METHYL-3-OXO-3H-1,2-DITHIOLE-4-CARBOXYLIC-ACID
SpectraBase Compound ID 9Sj4KTCXfTZ
InChI InChI=1S/C5H4O3S2/c1-2-3(4(6)7)5(8)10-9-2/h1H3,(H,6,7)
InChIKey KSDORENCTUQHCE-UHFFFAOYSA-N
Mol Weight 176.2 g/mol
Molecular Formula C5H4O3S2
Exact Mass 175.960186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sfUVsSkWfM
Name 5-METHYL-3-OXO-3H-1,2-DITHIOLE-4-CARBOXYLIC-ACID
Compound Number 3'B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H4O3S2
InChI InChI=1S/C5H4O3S2/c1-2-3(4(6)7)5(8)10-9-2/h1H3,(H,6,7)
InChIKey KSDORENCTUQHCE-UHFFFAOYSA-N
Literature Reference Author M.CHOLLET,J.L.BURGOT
Literature Reference Citation J.CHEM.SOC.PERKIN-2,387(1998)
Literature Reference DOI 10.1039/a704826b
Molecular Weight 176.205 g/mol
Solvent CDCl3