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DIETHYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-1-HYDROXYPROPYLPHOSPHONATE
SpectraBase Compound ID ILDfcKTMfVi
InChI InChI=1S/C15H22ClN8O4P/c1-3-27-29(26,28-4-2)11(25)5-6-24-8-10(21-22-24)7-23-9-18-12-13(16)19-15(17)20-14(12)23/h8-9,11,25H,3-7H2,1-2H3,(H2,17,19,20)
InChIKey PYZGNWJKGPMOFH-UHFFFAOYSA-N
Mol Weight 444.82 g/mol
Molecular Formula C15H22ClN8O4P
Exact Mass 444.119016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMzospJScsi
Name DIETHYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-1-HYDROXYPROPYLPHOSPHONATE
Compound Number 17G
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)11(25)5-6-24-8-10(21-22-24)7-23-9-18-12-13(16)19-15(17)20-14(12)23/h8-9,11,25H,3-7H2,1-2H3,(H2,17,19,20)
InChIKey PYZGNWJKGPMOFH-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
Molecular Weight 444.818 g/mol
Solvent CDCl3
Source File Reference UWPA5246