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5-(6-CHLORO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-PENTYLPHOSPHONIC-ACID-DIAMMONIUM-SALT
SpectraBase Compound ID 20nvVEYPZum
InChI InChI=1S/C9H14ClN2O5P.2H3N/c10-7-6(8(13)12-9(14)11-7)4-2-1-3-5-18(15,16)17;;/h1-5H2,(H2,15,16,17)(H2,11,12,13,14);2*1H3
InChIKey PIUYJFIIECPRJN-UHFFFAOYSA-N
Mol Weight 330.71 g/mol
Molecular Formula C9H20ClN4O5P
Exact Mass 330.085984 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2V8QRvCNTUX
Name 5-(6-CHLORO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-PENTYLPHOSPHONIC-ACID-DIAMMONIUM-SALT
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H20ClN4O5P
InChI InChI=1S/C9H14ClN2O5P.2H3N/c10-7-6(8(13)12-9(14)11-7)4-2-1-3-5-18(15,16)17;;/h1-5H2,(H2,15,16,17)(H2,11,12,13,14);2*1H3
InChIKey PIUYJFIIECPRJN-UHFFFAOYSA-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 UWLU58709