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1-[(2R,4S,5S)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]pyrimidine-2,4-quinone

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1-[(2R,4S,5S)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]pyrimidine-2,4-quinone
SpectraBase Compound ID G6w26Ju8YO4
InChI InChI=1S/C9H12N2O4S/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6-,8+/m0/s1
InChIKey DDRFKXKKBYNNSO-VMHSAVOQSA-N
Mol Weight 244.26 g/mol
Molecular Formula C9H12N2O4S
Exact Mass 244.051778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID An6C9Im9Z57
Name 1-[(2R,4S,5S)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]pyrimidine-2,4-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N2O4S
InChI InChI=1S/C9H12N2O4S/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6-,8+/m0/s1
InChIKey DDRFKXKKBYNNSO-VMHSAVOQSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 244.265 g/mol
Source File Reference MHKO17798