| SpectraBase Compound ID | 4kiTthFhHwi |
|---|---|
| InChI | InChI=1S/C22H26F2N4O13P2/c23-15-17(29)13(39-21(15)27-5-1-3-11(7-27)19(25)31)9-37-42(33,34)41-43(35,36)38-10-14-18(30)16(24)22(40-14)28-6-2-4-12(8-28)20(26)32/h1-8,13-18,21-22,29-30H,9-10H2,(H4-2,25,26,31,32,33,34,35,36)/p+2/t13-,14+,15+,16-,17-,18+,21-,22+ |
| InChIKey | SOMLDTGEBYRDDS-MBFGVPMJSA-P |
| Mol Weight | 656.43 g/mol |
| Molecular Formula | C22H28F2N4O13P2 |
| Exact Mass | 656.109617 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0D4SMTdUf3 |
|---|---|
| Name | BIS-(2'-DEOXY-2'-FLUORO-BETA-NICOTINAMIDE-ARABINOSYL)-PYROPHOSPHATE |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26F2N4O13P2 |
| InChI | InChI=1S/C22H26F2N4O13P2/c23-15-17(29)13(39-21(15)27-5-1-3-11(7-27)19(25)31)9-37-42(33,34)41-43(35,36)38-10-14-18(30)16(24)22(40-14)28-6-2-4-12(8-28)20(26)32/h1-8,13-18,21-22,29-30H,9-10H2,(H4-2,25,26,31,32,33,34,35,36)/p+2/t13-,14+,15+,16-,17-,18+,21-,22+ |
| InChIKey | SOMLDTGEBYRDDS-MBFGVPMJSA-P |
| Literature Reference Author | S.WANG,W.ZHU,X.WANG,J.LI,K.ZHANG,L.ZHANG,Y.J.ZHAO,H.C.LEE,L. ZHANG |
| Literature Reference Citation | MOLECULES,19,15754(2014) |
| Literature Reference DOI | 10.3390/molecules191015754 |
| Solvent | D2O |
| Source File Reference | UWLU81451 |