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(1'R,2'R,3'R,4'R)-2-AMINO-6-CHLORO-9-[3'-ACETOXY-4'-(ACETOXYMETHYL)-2'-BROMOCYCLOPENTAN-1'-YL]-PURINE
SpectraBase Compound ID A7ukF9M5Oa9
InChI InChI=1S/C15H17BrClN5O4/c1-6(23)25-4-8-3-9(10(16)12(8)26-7(2)24)22-5-19-11-13(17)20-15(18)21-14(11)22/h5,8-10,12H,3-4H2,1-2H3,(H2,18,20,21)/t8-,9-,10-,12-/m0/s1
InChIKey HUQNEOVMLLQSIZ-GMOBBJLQSA-N
Mol Weight 446.69 g/mol
Molecular Formula C15H17BrClN5O4
Exact Mass 445.015245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUIlQOXk6L6
Name (1'R,2'R,3'R,4'R)-2-AMINO-6-CHLORO-9-[3'-ACETOXY-4'-(ACETOXYMETHYL)-2'-BROMOCYCLOPENTAN-1'-YL]-PURINE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17BrClN5O4
InChI InChI=1S/C15H17BrClN5O4/c1-6(23)25-4-8-3-9(10(16)12(8)26-7(2)24)22-5-19-11-13(17)20-15(18)21-14(11)22/h5,8-10,12H,3-4H2,1-2H3,(H2,18,20,21)/t8-,9-,10-,12-/m0/s1
InChIKey HUQNEOVMLLQSIZ-GMOBBJLQSA-N
Literature Reference Author A.DHANDA,L.J.S.KNUTSEN,M.B.NIELSEN,S.M.ROBERTS,D.R.VARLEY
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3469(1999)
Literature Reference DOI 10.1039/a906464h
Molecular Weight 446.688 g/mol
Solvent CDCl3
Source File Reference UWKP2710