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BIS-(2'-DEOXY-2'-FLUORO-2'-METHYL-BETA-NICOTINAMIDE)-METHYLENEDIPHOSPHONATE
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

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQKFzl636SE
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