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6-Methylthio-9.beta.-(2',3',5'-tri-o-acetyl-D-ribofuranosyl)purine

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6-Methylthio-9.beta.-(2',3',5'-tri-o-acetyl-D-ribofuranosyl)purine
SpectraBase Compound ID DBNC9BIrz1k
InChI InChI=1S/C17H20N4O7S/c1-8(22)25-5-11-13(26-9(2)23)14(27-10(3)24)17(28-11)21-7-20-12-15(21)18-6-19-16(12)29-4/h6-7,11,13-14,17H,5H2,1-4H3/t11-,13-,14-,17?/m1/s1
InChIKey HTLGKOCQNIEPKQ-IKYDMHQPSA-N
Mol Weight 424.43 g/mol
Molecular Formula C17H20N4O7S
Exact Mass 424.10527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ggrpf0Zl6mg
Name 6-Methylthio-9.beta.-(2',3',5'-tri-o-acetyl-D-ribofuranosyl)purine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.105270167 u
Formula C17H20N4O7S
InChI InChI=1S/C17H20N4O7S/c1-8(22)25-5-11-13(26-9(2)23)14(27-10(3)24)17(28-11)21-7-20-12-15(21)18-6-19-16(12)29-4/h6-7,11,13-14,17H,5H2,1-4H3/t11-,13-,14-,17?/m1/s1
InChIKey HTLGKOCQNIEPKQ-IKYDMHQPSA-N
Molecular Weight 424.428 g/mol
SMILES C1(N2C=3C(=C(SC)N=CN3)N=C2)[C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H]