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[1,7-(15)-N2]-9-(2-DEOXY-BETA-D-ERYTHRO-PENTAFURANOSYL)-6-(1,2,4-TRIAZOL-4-YL)-PURINE

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[1,7-(15)-N2]-9-(2-DEOXY-BETA-D-ERYTHRO-PENTAFURANOSYL)-6-(1,2,4-TRIAZOL-4-YL)-PURINE
SpectraBase Compound ID H7jIOFJqQKr
InChI InChI=1S/C12H13N7O3/c20-2-8-7(21)1-9(22-8)19-4-15-10-11(13-3-14-12(10)19)18-5-16-17-6-18/h3-9,20-21H,1-2H2/t7-,8+,9+/m1/s1/i13+1,15+1
InChIKey WEXQXHOINIOUFQ-YXSYGPKFSA-N
Mol Weight 305.27 g/mol
Molecular Formula C12H13N515N2O3
Exact Mass 305.102057 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZvZfkQuse4
Name [1,7-(15)-N2]-9-(2-DEOXY-BETA-D-ERYTHRO-PENTAFURANOSYL)-6-(1,2,4-TRIAZOL-4-YL)-PURINE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N515N2O3
InChI InChI=1S/C12H13N7O3/c20-2-8-7(21)1-9(22-8)19-4-15-10-11(13-3-14-12(10)19)18-5-16-17-6-18/h3-9,20-21H,1-2H2/t7-,8+,9+/m1/s1/i13+1,15+1
InChIKey WEXQXHOINIOUFQ-YXSYGPKFSA-N
Literature Reference Author A.R.PAGANO,H.ZHAO,A.SHALLOP,R.A.JONES
Literature Reference Citation J.ORG.CHEM.,63,3213(1998)
Literature Reference DOI 10.1021/jo9718152
Solvent DMSO-D6
Source File Reference UWLU37110