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Inosine, 1-hydroxy-, 2',3',5'-triacetate

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

Inosine, 1-hydroxy-, 2',3',5'-triacetate
SpectraBase Compound ID D3x4eKrsI8S
InChI InChI=1S/C16H18N4O9/c1-7(21)26-4-10-12(27-8(2)22)13(28-9(3)23)16(29-10)19-5-17-14-11(19)15(24)20(25)6-18-14/h5-6,10,12-13,16,25H,4H2,1-3H3/t10-,12-,13-,16-/m1/s1
InChIKey SCQPXEHRKSFNOH-XNIJJKJLSA-N
Mol Weight 410.34 g/mol
Molecular Formula C16H18N4O9
Exact Mass 410.107378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5n6bG1yiTfr
Name Inosine, 1-hydroxy-, 2',3',5'-triacetate
Comments Computed using HOSE algorithm
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Exact Mass 410.107378167 u
Formula C16H18N4O9
InChI InChI=1S/C16H18N4O9/c1-7(21)26-4-10-12(27-8(2)22)13(28-9(3)23)16(29-10)19-5-17-14-11(19)15(24)20(25)6-18-14/h5-6,10,12-13,16,25H,4H2,1-3H3/t10-,12-,13-,16-/m1/s1
InChIKey SCQPXEHRKSFNOH-XNIJJKJLSA-N
Molecular Weight 410.339 g/mol
SMILES C=12N(C=NC1N=CN(C2=O)O)[C@]1([C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H]