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9-[(1'-BETA,4'-BETA)-4'-ACETOXYCYClOPENT-2'-ENYL]-6-CHLOROPURINE
SpectraBase Compound ID AmV5oCqTBuV
InChI InChI=1S/C12H11ClN4O2/c1-7(18)19-9-3-2-8(4-9)17-6-16-10-11(13)14-5-15-12(10)17/h2-3,5-6,8-9H,4H2,1H3/t8-,9+/m0/s1
InChIKey AUTHPZRHXUJHSH-DTWKUNHWSA-N
Mol Weight 278.7 g/mol
Molecular Formula C12H11ClN4O2
Exact Mass 278.057053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64tkkH57eXn
Name 9-[(1'-BETA,4'-BETA)-4'-ACETOXYCYClOPENT-2'-ENYL]-6-CHLOROPURINE
Compound Number 6
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Formula C12H11ClN4O2
InChI InChI=1S/C12H11ClN4O2/c1-7(18)19-9-3-2-8(4-9)17-6-16-10-11(13)14-5-15-12(10)17/h2-3,5-6,8-9H,4H2,1H3/t8-,9+/m0/s1
InChIKey AUTHPZRHXUJHSH-DTWKUNHWSA-N
Literature Reference Author V.MERLO,F.J.REECE,S.M.ROBERTS,M.GREGSON,R.STORER
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1717(1993)
Literature Reference DOI 10.1039/p19930001717
Molecular Weight 278.698 g/mol
Solvent CDCl3
Source File Reference UWCP1591