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2,2-dimethyl-5-[(phenylthio)methylene]-1,3-dioxane-4,6-quinone
SpectraBase Compound ID JurLzZl8SHG
InChI InChI=1S/C13H12O4S/c1-13(2)16-11(14)10(12(15)17-13)8-18-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey BBVVJBWABOEYHL-UHFFFAOYSA-N
Mol Weight 264.29 g/mol
Molecular Formula C13H12O4S
Exact Mass 264.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qqwr2JsDb8
Name 2,2-dimethyl-5-[(phenylthio)methylene]-1,3-dioxane-4,6-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12O4S
InChI InChI=1S/C13H12O4S/c1-13(2)16-11(14)10(12(15)17-13)8-18-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey BBVVJBWABOEYHL-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 264.296 g/mol
Source File Reference MHKO7212