![9-[5-o-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo-2-o-(phenoxythiocarbonyl)]inosine](/api/spectrum/2srS8l0XgxS/structure.png?h=300&w=458 "9-[5-o-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo-2-o-(phenoxythiocarbonyl)]inosine")
| SpectraBase Compound ID | HslYK1juOPU |
|---|---|
| InChI | InChI=1S/C23H23BrN4O8S/c1-12(29)36-23(2,3)21(31)32-9-14-15(24)17(35-22(37)33-13-7-5-4-6-8-13)20(34-14)28-11-27-16-18(28)25-10-26-19(16)30/h4-8,10-11,14-15,17,20H,9H2,1-3H3,(H,25,26,30) |
| InChIKey | GMKQOGAKGPJSLI-UHFFFAOYSA-N |
| Mol Weight | 595.42 g/mol |
| Molecular Formula | C23H23BrN4O8S |
| Exact Mass | 594.041998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2srS8l0XgxS |
|---|---|
| Name | 9-[5-o-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo-2-o-(phenoxythiocarbonyl)]inosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 594.041997883 u |
| Formula | C23H23BrN4O8S |
| InChI | InChI=1S/C23H23BrN4O8S/c1-12(29)36-23(2,3)21(31)32-9-14-15(24)17(35-22(37)33-13-7-5-4-6-8-13)20(34-14)28-11-27-16-18(28)25-10-26-19(16)30/h4-8,10-11,14-15,17,20H,9H2,1-3H3,(H,25,26,30) |
| InChIKey | GMKQOGAKGPJSLI-UHFFFAOYSA-N |
| Molecular Weight | 595.421 g/mol |
| SMILES | C1=2N(C=NC2C(=O)NC=N1)C1C(C(Br)C(O1)COC(C(OC(=O)C)(C)C)=O)OC(=S)OC1=CC=CC=C1 |