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DIETHYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-2-HYDROXYPROPYLPHOSPHONATE
SpectraBase Compound ID 46mJObrwBMc
InChI InChI=1S/C15H22ClN8O4P/c1-3-27-29(26,28-4-2)8-11(25)7-24-6-10(21-22-24)5-23-9-18-12-13(16)19-15(17)20-14(12)23/h6,9,11,25H,3-5,7-8H2,1-2H3,(H2,17,19,20)
InChIKey VYZCAONHAGPECC-UHFFFAOYSA-N
Mol Weight 444.82 g/mol
Molecular Formula C15H22ClN8O4P
Exact Mass 444.119016 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7MJp4jjNur
Name DIETHYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-2-HYDROXYPROPYLPHOSPHONATE
Compound Number 17F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22ClN8O4P
InChI InChI=1S/C15H22ClN8O4P/c1-3-27-29(26,28-4-2)8-11(25)7-24-6-10(21-22-24)5-23-9-18-12-13(16)19-15(17)20-14(12)23/h6,9,11,25H,3-5,7-8H2,1-2H3,(H2,17,19,20)
InChIKey VYZCAONHAGPECC-UHFFFAOYSA-N
Literature Reference Author I.E.GLOWACKA,G.ANDREI,D.SCHOLS,R.SNOECK,D.G.PIOTROWSKA
Literature Reference Citation MOLECULES,20,18789(2015)
Literature Reference DOI 10.3390/molecules201018789
Solvent CDCl3
Source File Reference UWPA5245