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Inosine, 1-(acetyloxy)-, 2',3',5'-triacetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Inosine, 1-(acetyloxy)-, 2',3',5'-triacetate
SpectraBase Compound ID 3YGX37CkThw
InChI InChI=1S/C18H20N4O10/c1-8(23)28-5-12-14(29-9(2)24)15(30-10(3)25)18(31-12)21-6-19-16-13(21)17(27)22(7-20-16)32-11(4)26/h6-7,12,14-15,18H,5H2,1-4H3/t12-,14-,15-,18-/m1/s1
InChIKey AAJOSQWDCQGDOO-SCFUHWHPSA-N
Mol Weight 452.38 g/mol
Molecular Formula C18H20N4O10
Exact Mass 452.117943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7y14YJPFfjZ
Name Inosine, 1-(acetyloxy)-, 2',3',5'-triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.117942850 u
Formula C18H20N4O10
InChI InChI=1S/C18H20N4O10/c1-8(23)28-5-12-14(29-9(2)24)15(30-10(3)25)18(31-12)21-6-19-16-13(21)17(27)22(7-20-16)32-11(4)26/h6-7,12,14-15,18H,5H2,1-4H3/t12-,14-,15-,18-/m1/s1
InChIKey AAJOSQWDCQGDOO-SCFUHWHPSA-N
Molecular Weight 452.376 g/mol
SMILES C=12N(C=NC1N=CN(C2=O)OC(=O)C)[C@]1([C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H]