![5'-O-[4-[(TOL-4-YL)-SULFONYLOXY]-BUTYL]-ADENOSINE](/api/spectrum/7jsgghvrj0P/structure.png?h=300&w=458 "5'-O-[4-[(TOL-4-YL)-SULFONYLOXY]-BUTYL]-ADENOSINE")
| SpectraBase Compound ID | A8l6KCiSYGX |
|---|---|
| InChI | InChI=1S/C21H27N5O7S/c1-13-4-6-14(7-5-13)34(29,30)32-9-3-2-8-31-10-15-17(27)18(28)21(33-15)26-12-25-16-19(22)23-11-24-20(16)26/h4-7,11-12,15,17-18,21,27-28H,2-3,8-10H2,1H3,(H2,22,23,24)/t15-,17-,18-,21-/m0/s1 |
| InChIKey | QBBPWWQNVLYYFD-DBSRCYSRSA-N |
| Mol Weight | 493.54 g/mol |
| Molecular Formula | C21H27N5O7S |
| Exact Mass | 493.163119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jsgghvrj0P |
|---|---|
| Name | 5'-O-[4-[(TOL-4-YL)-SULFONYLOXY]-BUTYL]-ADENOSINE |
| Compound Number | 12B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H27N5O7S |
| InChI | InChI=1S/C21H27N5O7S/c1-13-4-6-14(7-5-13)34(29,30)32-9-3-2-8-31-10-15-17(27)18(28)21(33-15)26-12-25-16-19(22)23-11-24-20(16)26/h4-7,11-12,15,17-18,21,27-28H,2-3,8-10H2,1H3,(H2,22,23,24)/t15-,17-,18-,21-/m0/s1 |
| InChIKey | QBBPWWQNVLYYFD-DBSRCYSRSA-N |
| Literature Reference Author | L.POPPE,W.E.HULL,J.RETEY |
| Literature Reference Citation | HELV.CHIM.ACTA,76,2367(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760623 |
| Molecular Weight | 493.535 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSK31 |