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(1S,3S,4R,5S)-3-HYDROXY-4-HYDROXYMETHYL-1-(2-AMINO-6-OXO-1,9-DIHYDRO-6H-PURIN-9-YL)-BICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID CkuWnxAsEkU
InChI InChI=1S/C12H15N5O3/c13-11-15-9-8(10(20)16-11)14-4-17(9)12-1-6(12)5(3-18)7(19)2-12/h4-7,18-19H,1-3H2,(H3,13,15,16,20)
InChIKey GXXSQGQJBFMHMS-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C12H15N5O3
Exact Mass 277.117489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBVjjxab3z3
Name (1S,3S,4R,5S)-3-HYDROXY-4-HYDROXYMETHYL-1-(2-AMINO-6-OXO-1,9-DIHYDRO-6H-PURIN-9-YL)-BICYCLO-[3.1.0]-HEXANE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N5O3
InChI InChI=1S/C12H15N5O3/c13-11-15-9-8(10(20)16-11)14-4-17(9)12-1-6(12)5(3-18)7(19)2-12/h4-7,18-19H,1-3H2,(H3,13,15,16,20)
InChIKey GXXSQGQJBFMHMS-UHFFFAOYSA-N
Literature Reference Author A.EZZITOUNI,V.E.MARQUEZ
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1073(1997)
Literature Reference DOI 10.1039/a604352f
Molecular Weight 277.283 g/mol
Solvent DMSO-D6
Source File Reference UWRU9827