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DIETHYL-2-[4-[(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-ETHYLPHOSPHONATE
SpectraBase Compound ID 1op0NoDNNaJ
InChI InChI=1S/C14H21N8O4P/c1-3-25-27(24,26-4-2)6-5-22-8-10(19-20-22)7-21-9-16-11-12(21)17-14(15)18-13(11)23/h8-9H,3-7H2,1-2H3,(H3,15,17,18,23)
InChIKey WMPQOMUOHDRJPI-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C14H21N8O4P
Exact Mass 396.142338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LuEF8csk2qy
Name DIETHYL-2-[4-[(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-ETHYLPHOSPHONATE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H21N8O4P
InChI InChI=1S/C14H21N8O4P/c1-3-25-27(24,26-4-2)6-5-22-8-10(19-20-22)7-21-9-16-11-12(21)17-14(15)18-13(11)23/h8-9H,3-7H2,1-2H3,(H3,15,17,18,23)
InChIKey WMPQOMUOHDRJPI-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 396.346 g/mol
Solvent CD3OD
Source File Reference UWPA5253