![[N,1-(15)N(2)]-3',5'-DI-O-ACETYL-N(6)-BENZOYL-2'-DEOXYADENOSINE](/api/spectrum/KoshQkgwtmr/structure.png?h=300&w=458 "[N,1-(15)N(2)]-3',5'-DI-O-ACETYL-N(6)-BENZOYL-2'-DEOXYADENOSINE")
| SpectraBase Compound ID | HAiNydhOFWf |
|---|---|
| InChI | InChI=1S/C21H21N5O6/c1-12(27)30-9-16-15(31-13(2)28)8-17(32-16)26-11-24-18-19(22-10-23-20(18)26)25-21(29)14-6-4-3-5-7-14/h3-7,10-11,15-17H,8-9H2,1-2H3,(H,22,23,25,29)/t15-,16+,17+/m1/s1/i22+1,25+1 |
| InChIKey | OLKFCGIKFMQQMX-QTXHFMELSA-N |
| Mol Weight | 441.41 g/mol |
| Molecular Formula | C21H21N315N2O6 |
| Exact Mass | 441.143253 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KoshQkgwtmr |
|---|---|
| Name | [N,1-(15)N(2)]-3',5'-DI-O-ACETYL-N(6)-BENZOYL-2'-DEOXYADENOSINE |
| Compound Number | 5A* |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H21N315N2O6 |
| InChI | InChI=1S/C21H21N5O6/c1-12(27)30-9-16-15(31-13(2)28)8-17(32-16)26-11-24-18-19(22-10-23-20(18)26)25-21(29)14-6-4-3-5-7-14/h3-7,10-11,15-17H,8-9H2,1-2H3,(H,22,23,25,29)/t15-,16+,17+/m1/s1/i22+1,25+1 |
| InChIKey | OLKFCGIKFMQQMX-QTXHFMELSA-N |
| Literature Reference Author | M.TERRAZAS,X.ARIZA,J.VILARRASA |
| Literature Reference Citation | ORG.LETTERS,7,2477(2005) |
| Literature Reference DOI | 10.1021/ol050788w |
| Solvent | CDCl3 |
| Source File Reference | UWSI43110 |