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

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DIETHYL-4-[4-[(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-BUTYLPHOSPHONATE
SpectraBase Compound ID hS2O4viOgv
InChI InChI=1S/C16H25N8O4P/c1-3-27-29(26,28-4-2)8-6-5-7-24-10-12(21-22-24)9-23-11-18-13-14(23)19-16(17)20-15(13)25/h10-11H,3-9H2,1-2H3,(H3,17,19,20,25)
InChIKey VTSACNZKLUNVMX-UHFFFAOYSA-N
Mol Weight 424.4 g/mol
Molecular Formula C16H25N8O4P
Exact Mass 424.173638 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWmQEcySfGC
Name DIETHYL-4-[4-[(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-BUTYLPHOSPHONATE
Compound Number 16D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25N8O4P
InChI InChI=1S/C16H25N8O4P/c1-3-27-29(26,28-4-2)8-6-5-7-24-10-12(21-22-24)9-23-11-18-13-14(23)19-16(17)20-15(13)25/h10-11H,3-9H2,1-2H3,(H3,17,19,20,25)
InChIKey VTSACNZKLUNVMX-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 CD3OD
Source File Reference UWPA5255