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5-(3-keto-1H-isobenzofuran-1-yl)-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID CooDmdDUBD0
InChI InChI=1S/C14H12N2O4S/c1-15-11(17)9(12(18)16(2)14(15)21)10-7-5-3-4-6-8(7)13(19)20-10/h3-6,9-10H,1-2H3
InChIKey KNWJOWCNXBTKHO-UHFFFAOYSA-N
Mol Weight 304.32 g/mol
Molecular Formula C14H12N2O4S
Exact Mass 304.051778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeDFwLgDWeV
Name 5-(3-keto-1H-isobenzofuran-1-yl)-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12N2O4S
InChI InChI=1S/C14H12N2O4S/c1-15-11(17)9(12(18)16(2)14(15)21)10-7-5-3-4-6-8(7)13(19)20-10/h3-6,9-10H,1-2H3
InChIKey KNWJOWCNXBTKHO-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 304.320 g/mol
Source File Reference MHKO18964