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DIETHYL-4-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-BUTYLPHOSPHONATE

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DIETHYL-4-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-BUTYLPHOSPHONATE
SpectraBase Compound ID BBiqdzHeWRB
InChI InChI=1S/C16H24ClN8O3P/c1-3-27-29(26,28-4-2)8-6-5-7-25-10-12(22-23-25)9-24-11-19-13-14(17)20-16(18)21-15(13)24/h10-11H,3-9H2,1-2H3,(H2,18,20,21)
InChIKey FFQLQMQZINUKJO-UHFFFAOYSA-N
Mol Weight 442.85 g/mol
Molecular Formula C16H24ClN8O3P
Exact Mass 442.139751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cAtGbwjBQm
Name DIETHYL-4-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-BUTYLPHOSPHONATE
Compound Number 1 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24ClN8O3P
InChI InChI=1S/C16H24ClN8O3P/c1-3-27-29(26,28-4-2)8-6-5-7-25-10-12(22-23-25)9-24-11-19-13-14(17)20-16(18)21-15(13)24/h10-11H,3-9H2,1-2H3,(H2,18,20,21)
InChIKey FFQLQMQZINUKJO-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 442.845 g/mol
Solvent CDCl3
Source File Reference UWPA5243