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6-Chloro-2-phenyl-9.beta.-(2',3',5'-tri-o-acetyl)-D,ribo-furanosylpurine

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6-Chloro-2-phenyl-9.beta.-(2',3',5'-tri-o-acetyl)-D,ribo-furanosylpurine
SpectraBase Compound ID 29zpbLLDate
InChI InChI=1S/C22H21ClN4O7/c1-11(28)31-9-15-17(32-12(2)29)18(33-13(3)30)22(34-15)27-10-24-16-19(23)25-20(26-21(16)27)14-7-5-4-6-8-14/h4-8,10,15,17-18,22H,9H2,1-3H3/t15-,17+,18?,22-/m1/s1
InChIKey GQDFHQPHOSIYOP-CRTRPISOSA-N
Mol Weight 488.88 g/mol
Molecular Formula C22H21ClN4O7
Exact Mass 488.109877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HXbhpVMDa0
Name 6-Chloro-2-phenyl-9.beta.-(2',3',5'-tri-o-acetyl)-D,ribo-furanosylpurine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.109876725 u
Formula C22H21ClN4O7
InChI InChI=1S/C22H21ClN4O7/c1-11(28)31-9-15-17(32-12(2)29)18(33-13(3)30)22(34-15)27-10-24-16-19(23)25-20(26-21(16)27)14-7-5-4-6-8-14/h4-8,10,15,17-18,22H,9H2,1-3H3/t15-,17+,18?,22-/m1/s1
InChIKey GQDFHQPHOSIYOP-CRTRPISOSA-N
Molecular Weight 488.884 g/mol
SMILES C1=2N(C=NC2C(Cl)=NC(=N1)C1=CC=CC=C1)[C@]1(C([C@@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])OC(=O)C)[H]