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

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DIETHYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-PROPYLPHOSPHONATE
SpectraBase Compound ID 3LzWYdY4qDd
InChI InChI=1S/2C15H22ClN8O3P/c2*1-3-26-28(25,27-4-2)7-5-6-24-9-11(21-22-24)8-23-10-18-12-13(16)19-15(17)20-14(12)23/h2*9-10H,3-8H2,1-2H3,(H2,17,19,20)
InChIKey ZZMFMVWNFYCVGA-UHFFFAOYSA-N
Mol Weight 857.64 g/mol
Molecular Formula C30H44Cl2N16O6P2
Exact Mass 856.248203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K09o5UD8ePz
Name DIETHYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-PROPYLPHOSPHONATE
Compound Number 17C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44Cl2N16O6P2
InChI InChI=1S/2C15H22ClN8O3P/c2*1-3-26-28(25,27-4-2)7-5-6-24-9-11(21-22-24)8-23-10-18-12-13(16)19-15(17)20-14(12)23/h2*9-10H,3-8H2,1-2H3,(H2,17,19,20)
InChIKey ZZMFMVWNFYCVGA-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 857.636 g/mol
Solvent CDCl3
Source File Reference UWPA5242