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2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-methylol-3-(methylthio)tetrahydrofuran-2-yl]-3H-purin-6-one
SpectraBase Compound ID 6YdhFpn57RC
InChI InChI=1S/C11H15N5O4S/c1-21-7-6(18)4(2-17)20-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKey TZSRBFZZPDETLJ-KQYNXXCUSA-N
Mol Weight 313.33 g/mol
Molecular Formula C11H15N5O4S
Exact Mass 313.084475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVfLnlVmnAo
Name 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-methylol-3-(methylthio)tetrahydrofuran-2-yl]-3H-purin-6-one
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H15N5O4S
InChI InChI=1S/C11H15N5O4S/c1-21-7-6(18)4(2-17)20-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKey TZSRBFZZPDETLJ-KQYNXXCUSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 313.331 g/mol
Source File Reference MHKO16783