| SpectraBase Compound ID | AKboPDd24Jl |
|---|---|
| InChI | InChI=1S/C17H22N7O6P/c1-22(2)10-3-5-23(6-4-10)31(27,28)29-7-11-13(25)14(26)17(30-11)24-9-21-12-15(18)19-8-20-16(12)24/h3-6,8-9,11,13-14,17,25-26H,7H2,1-2H3,(H2-,18,19,20,27,28)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | NNUJFGGPZMWVBK-MJFSBKNWSA-N |
| Mol Weight | 451.38 g/mol |
| Molecular Formula | C17H22N7O6P |
| Exact Mass | 451.136918 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ed27e4t1WP |
|---|---|
| Name | ADENOSINE-5'-PHOSPHORO-4-(DIMETHYLAMINO)-PYRIDINIUM |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H22N7O6P |
| InChI | InChI=1S/C17H22N7O6P/c1-22(2)10-3-5-23(6-4-10)31(27,28)29-7-11-13(25)14(26)17(30-11)24-9-21-12-15(18)19-8-20-16(12)24/h3-6,8-9,11,13-14,17,25-26H,7H2,1-2H3,(H2-,18,19,20,27,28)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | NNUJFGGPZMWVBK-MJFSBKNWSA-N |
| Literature Reference Author | K.J.PRABAHAR,T.D.COLE,J.P.FERRIS |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,10914(1994) |
| Literature Reference DOI | 10.1021/ja00103a006 |
| Solvent | D2O |
| Source File Reference | UWSI9354 |