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3-BROMO-1-(2-DEOXY-2-FLUORO-BETA-D-ARABINOFURANOSYL)-4-ISOPROPOXY-1H-PYRAZOLO-[3.4-D]-PYRIMIDIN-6-AMINE
SpectraBase Compound ID 6pC6xIR2XEt
InChI InChI=1S/C13H17BrFN5O4/c1-4(2)23-11-6-9(14)19-20(10(6)17-13(16)18-11)12-7(15)8(22)5(3-21)24-12/h4-5,7-8,12,21-22H,3H2,1-2H3,(H2,16,17,18)/t5-,7+,8-,12-/m1/s1
InChIKey SDENHRSMPTYQQQ-ADVRJHOBSA-N
Mol Weight 406.21 g/mol
Molecular Formula C13H17BrFN5O4
Exact Mass 405.044795 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fe2E8KZwh6h
Name 3-BROMO-1-(2-DEOXY-2-FLUORO-BETA-D-ARABINOFURANOSYL)-4-ISOPROPOXY-1H-PYRAZOLO-[3.4-D]-PYRIMIDIN-6-AMINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17BrFN5O4
InChI InChI=1S/C13H17BrFN5O4/c1-4(2)23-11-6-9(14)19-20(10(6)17-13(16)18-11)12-7(15)8(22)5(3-21)24-12/h4-5,7-8,12,21-22H,3H2,1-2H3,(H2,16,17,18)/t5-,7+,8-,12-/m1/s1
InChIKey SDENHRSMPTYQQQ-ADVRJHOBSA-N
Literature Reference Author J.HE,I.MIKHAILOPULO,F.SEELA
Literature Reference Citation J.ORG.CHEM.,68,5519(2003)
Literature Reference DOI 10.1021/jo030051p
Solvent DMSO-D6
Source File Reference UWVN25342