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6-thioxothiopyran-3-carboxylic acid methyl ester

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6-thioxothiopyran-3-carboxylic acid methyl ester
SpectraBase Compound ID LeFAlJWl0vP
InChI InChI=1S/C7H6O2S2/c1-9-7(8)5-2-3-6(10)11-4-5/h2-4H,1H3
InChIKey XIXJAKRLOYYFSD-UHFFFAOYSA-N
Mol Weight 186.24 g/mol
Molecular Formula C7H6O2S2
Exact Mass 185.980922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSzhrq87Q9D
Name 6-thioxothiopyran-3-carboxylic acid methyl ester
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6O2S2
InChI InChI=1S/C7H6O2S2/c1-9-7(8)5-2-3-6(10)11-4-5/h2-4H,1H3
InChIKey XIXJAKRLOYYFSD-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 186.243 g/mol
Source File Reference MHKO22419