![9-[5-O-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo-2-O-(phenoxythiocarbonyl)]inosine](/api/spectrum/GUyDPRavHnZ/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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GUyDPRavHnZ |
|---|---|
| Name | 9-[5-O-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo-2-O-(phenoxythiocarbonyl)]inosine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 | N1C(c2nc[n](c2N=C1)C1C(C(Br)C(O1)COC(C(OC(=O)C)(C)C)=O)OC(=S)Oc1ccccc1)=O |
| SPLASH | splash10-000i-0930000000-acdc6656558a337e6aec |
| Source of Spectrum | SO-0-479-6 |
| Wiley ID | 1543136 |