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4-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-BUTYLPHOSPHONIC-ACID-DIAMMONIUM-SALT
SpectraBase Compound ID DvK1BaJlOvJ
InChI InChI=1S/C13H24N3O9P.2H3N/c17-6-9(19)10(20)8(18)5-14-11-7(12(21)16-13(22)15-11)3-1-2-4-26(23,24)25;;/h8-10,17-20H,1-6H2,(H2,23,24,25)(H3,14,15,16,21,22);2*1H3/t8-,9+,10-;;/m0../s1
InChIKey PVSJTUDPZLGYJU-YNKWIVAQSA-N
Mol Weight 431.38 g/mol
Molecular Formula C13H30N5O9P
Exact Mass 431.178115 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzWbygwdCjl
Name 4-(6-D-RIBITYLAMINO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-BUTYLPHOSPHONIC-ACID-DIAMMONIUM-SALT
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H30N5O9P
InChI InChI=1S/C13H24N3O9P.2H3N/c17-6-9(19)10(20)8(18)5-14-11-7(12(21)16-13(22)15-11)3-1-2-4-26(23,24)25;;/h8-10,17-20H,1-6H2,(H2,23,24,25)(H3,14,15,16,21,22);2*1H3/t8-,9+,10-;;/m0../s1
InChIKey PVSJTUDPZLGYJU-YNKWIVAQSA-N
Literature Reference Author M.CUSHMAN,J.T.MIHALIC,K.KIS,A.BACHER
Literature Reference Citation J.ORG.CHEM.,64,3838(1999)
Literature Reference DOI 10.1021/jo9821729
Solvent DMSO-D6
Source File Reference UWLU58711