John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4DKWd5lC3Ek SpectraBase Spectrum ID=2WbGrXoaItQ

(accessed ).
(1'S,4'R)-9-[4'-(HYDROXY-([(DIFLUORO)-(METHYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYClOPENT-2'-ENYL]-GUANINE-(TRIS-A
SpectraBase Compound ID 4DKWd5lC3Ek
InChI InChI=1S/C13H18F2N5O9P3.3N/c1-30(22,23)13(14,15)32(26,27)29-31(24,25)6-28-8-3-2-7(4-8)20-5-17-9-10(20)18-12(16)19-11(9)21;;;/h2-3,5,7-8H,4,6H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H3,16,18,19,21);;;/q;3*+1/p-3/t7-,8+;;;/m1.../s1
InChIKey MJFXJLGHYFQPLH-LGTUNZBKSA-K
Mol Weight 558.228 g/mol
Molecular Formula C13H15F2N8O9P3
Exact Mass 558.014296 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WbGrXoaItQ
Name (1'S,4'R)-9-[4'-(HYDROXY-([(DIFLUORO)-(METHYLHYDROXYPHOSPHORYL)-METHYL]-HYDROXYPHOSPHORYLOXY)-PHOSPHORYLMETHOXY)-CYCLOPENT-2'-ENYL]-GUANINE-(TRIS-A
Compound Number 9
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15F2N8O9P3
InChI InChI=1S/C13H18F2N5O9P3.3N/c1-30(22,23)13(14,15)32(26,27)29-31(24,25)6-28-8-3-2-7(4-8)20-5-17-9-10(20)18-12(16)19-11(9)21;;;/h2-3,5,7-8H,4,6H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H3,16,18,19,21);;;/q;3*+1/p-3/t7-,8+;;;/m1.../s1
InChIKey MJFXJLGHYFQPLH-LGTUNZBKSA-K
Literature Reference Author A.V.SHIPITSIN,L.S.VICTOROVA,E.A.SHIROKOVA,N.B.DYATKINA,L.E.G ORYUNOVA,R.S.BEABEAL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1039(1999)
Literature Reference DOI 10.1039/a900336c
Solvent D2O
Source File Reference UWLU4742
SpectraBase Batch ID LedtgQjCYO2