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(1'R,2'R,4'S,5'S)-6-CHLORO-9-(4-HYDROXYMETHYL-3-OXABICYCLO-[3.2.0]-HEPT-2-YL)-9H-PURINE
SpectraBase Compound ID G1JuDX94KKz
InChI InChI=1S/C12H13ClN4O2/c13-10-9-11(15-4-14-10)17(5-16-9)12-7-2-1-6(7)8(3-18)19-12/h4-8,12,18H,1-3H2/t6-,7+,8+,12-/m0/s1
InChIKey WPWUNYQYIAQUQT-FCGKXJCRSA-N
Mol Weight 280.72 g/mol
Molecular Formula C12H13ClN4O2
Exact Mass 280.072703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AudgeGMQnLK
Name (1'R,2'R,4'S,5'S)-6-CHLORO-9-(4-HYDROXYMETHYL-3-OXABICYCLO-[3.2.0]-HEPT-2-YL)-9H-PURINE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13ClN4O2
InChI InChI=1S/C12H13ClN4O2/c13-10-9-11(15-4-14-10)17(5-16-9)12-7-2-1-6(7)8(3-18)19-12/h4-8,12,18H,1-3H2/t6-,7+,8+,12-/m0/s1
InChIKey WPWUNYQYIAQUQT-FCGKXJCRSA-N
Literature Reference Author R.ALIBES,A.ALVAREZ-LARENA,P.D.MARCH,M.FIGUEREDO,J.FONT,T.PAR ELLA,A.RUSTULLET
Literature Reference Citation ORG.LETTERS,8,491(2006)
Literature Reference DOI 10.1021/ol052794y
Molecular Weight 280.714 g/mol
Sample ID 58437
Solvent CDCl3