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DIETHYL-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-METHYLPHOSPHONATE
SpectraBase Compound ID IyA9B8yFsHN
InChI InChI=1S/C13H18ClN8O3P/c1-3-24-26(23,25-4-2)8-22-6-9(19-20-22)5-21-7-16-10-11(14)17-13(15)18-12(10)21/h6-7H,3-5,8H2,1-2H3,(H2,15,17,18)
InChIKey WMMHHPMRRYEZDN-UHFFFAOYSA-N
Mol Weight 400.77 g/mol
Molecular Formula C13H18ClN8O3P
Exact Mass 400.092801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhpcEb1M7Pt
Name DIETHYL-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-METHYLPHOSPHONATE
Compound Number 17 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18ClN8O3P
InChI InChI=1S/C13H18ClN8O3P/c1-3-24-26(23,25-4-2)8-22-6-9(19-20-22)5-21-7-16-10-11(14)17-13(15)18-12(10)21/h6-7H,3-5,8H2,1-2H3,(H2,15,17,18)
InChIKey WMMHHPMRRYEZDN-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 400.764 g/mol
Solvent CDCl3
Source File Reference UWPA5240