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

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DIETHYL-2-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-ETHYLPHOSPHONATE
SpectraBase Compound ID lGzZSujShL
InChI InChI=1S/2C14H20ClN8O3P/c2*1-3-25-27(24,26-4-2)6-5-23-8-10(20-21-23)7-22-9-17-11-12(15)18-14(16)19-13(11)22/h2*8-9H,3-7H2,1-2H3,(H2,16,18,19)
InChIKey XAAOQFIVQJIKGS-UHFFFAOYSA-N
Mol Weight 829.59 g/mol
Molecular Formula C28H40Cl2N16O6P2
Exact Mass 828.216902 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qfZ8dhB68m
Name DIETHYL-2-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-ETHYLPHOSPHONATE
Compound Number 1 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40Cl2N16O6P2
InChI InChI=1S/2C14H20ClN8O3P/c2*1-3-25-27(24,26-4-2)6-5-23-8-10(20-21-23)7-22-9-17-11-12(15)18-14(16)19-13(11)22/h2*8-9H,3-7H2,1-2H3,(H2,16,18,19)
InChIKey XAAOQFIVQJIKGS-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 UWPA5241