| SpectraBase Compound ID | IuWuGezggkf |
|---|---|
| InChI | InChI=1S/C13H17N5O5/c1-6(20)22-10-9(21-2)7(3-19)23-13(10)18-5-17-8-11(14)15-4-16-12(8)18/h4-5,7,9-10,13,19H,3H2,1-2H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 |
| InChIKey | QSDUZZXHJMIRBS-QYVSTXNMSA-N |
| Mol Weight | 323.31 g/mol |
| Molecular Formula | C13H17N5O5 |
| Exact Mass | 323.122969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JF70eATJCvY |
|---|---|
| Name | Adenosine, 3'-o-methyl-, 2'-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.122968662 u |
| Formula | C13H17N5O5 |
| InChI | InChI=1S/C13H17N5O5/c1-6(20)22-10-9(21-2)7(3-19)23-13(10)18-5-17-8-11(14)15-4-16-12(8)18/h4-5,7,9-10,13,19H,3H2,1-2H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 |
| InChIKey | QSDUZZXHJMIRBS-QYVSTXNMSA-N |
| Molecular Weight | 323.309 g/mol |
| SMILES | [C@@]1(N2C3=C(C(N)=NC=N3)N=C2)([C@@]([C@](OC)([C@](O1)(CO)[H])[H])(OC(=O)C)[H])[H] |