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4-(6-CHLORO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-BUTYLPHOSPHONIC-ACID-DIAMMONIUM-SALT
SpectraBase Compound ID C2Mw2DVTuUy
InChI InChI=1S/C8H12ClN2O5P.2H3N/c9-6-5(7(12)11-8(13)10-6)3-1-2-4-17(14,15)16;;/h1-4H2,(H2,14,15,16)(H2,10,11,12,13);2*1H3
InChIKey KQKZVTWCNVHZLW-UHFFFAOYSA-N
Mol Weight 316.68 g/mol
Molecular Formula C8H18ClN4O5P
Exact Mass 316.070334 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HZfzR2Fk8a
Name 4-(6-CHLORO-2,4-DIHYDROXYPYRIMIDIN-5-YL)-1-BUTYLPHOSPHONIC-ACID-DIAMMONIUM-SALT
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H18ClN4O5P
InChI InChI=1S/C8H12ClN2O5P.2H3N/c9-6-5(7(12)11-8(13)10-6)3-1-2-4-17(14,15)16;;/h1-4H2,(H2,14,15,16)(H2,10,11,12,13);2*1H3
InChIKey KQKZVTWCNVHZLW-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 UWLU58708