| SpectraBase Compound ID | 1DMH6vrkDfM |
|---|---|
| InChI | InChI=1S/C25H32F2N4O12P2/c1-24(26)18(32)16(42-22(24)30-7-3-5-14(9-30)20(28)34)11-40-44(36,37)13-45(38,39)41-12-17-19(33)25(2,27)23(43-17)31-8-4-6-15(10-31)21(29)35/h3-10,16-19,22-23,32-33H,11-13H2,1-2H3,(H4-2,28,29,34,35,36,37,38,39)/p+2/t16-,17+,18-,19+,22-,23+,24-,25+ |
| InChIKey | IQOXUQNUWSVLFM-ITFFOZIXSA-P |
| Mol Weight | 682.5 g/mol |
| Molecular Formula | C25H34F2N4O12P2 |
| Exact Mass | 682.161653 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8y07ooBkWqD |
|---|---|
| Name | BIS-(2'-DEOXY-2'-FLUORO-2'-METHYL-BETA-NICOTINAMIDE)-METHYLENEDIPHOSPHONATE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32F2N4O12P2 |
| InChI | InChI=1S/C25H32F2N4O12P2/c1-24(26)18(32)16(42-22(24)30-7-3-5-14(9-30)20(28)34)11-40-44(36,37)13-45(38,39)41-12-17-19(33)25(2,27)23(43-17)31-8-4-6-15(10-31)21(29)35/h3-10,16-19,22-23,32-33H,11-13H2,1-2H3,(H4-2,28,29,34,35,36,37,38,39)/p+2/t16-,17+,18-,19+,22-,23+,24-,25+ |
| InChIKey | IQOXUQNUWSVLFM-ITFFOZIXSA-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 | UWLU81453 |