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1-[(2R,4S,5S)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]-5-iodo-pyrimidine-2,4-quinone
SpectraBase Compound ID DqotvFs8T8G
InChI InChI=1S/C9H11IN2O4S/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7+/m0/s1
InChIKey LILXFAKUXPTIFM-LYFYHCNISA-N
Mol Weight 370.16 g/mol
Molecular Formula C9H11IN2O4S
Exact Mass 369.948423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HeObaG7kAZ9
Name 1-[(2R,4S,5S)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]-5-iodo-pyrimidine-2,4-quinone
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11IN2O4S
InChI InChI=1S/C9H11IN2O4S/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7+/m0/s1
InChIKey LILXFAKUXPTIFM-LYFYHCNISA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 370.162 g/mol
Source File Reference MHKO17804