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1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-3-IODO-4-ISOBUTYRAMIDO-1H-PYRAZOLO-[3,4-D]-PYRIMIDINE
SpectraBase Compound ID AlDOUuvhxvt
InChI InChI=1S/C14H18IN5O4/c1-6(2)14(23)18-12-10-11(15)19-20(13(10)17-5-16-12)9-3-7(22)8(4-21)24-9/h5-9,21-22H,3-4H2,1-2H3,(H,16,17,18,23)/t7-,8+,9+/m1/s1
InChIKey MJNMQGIQYRHILE-VGMNWLOBSA-N
Mol Weight 447.23 g/mol
Molecular Formula C14H18IN5O4
Exact Mass 447.040349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uixa0NvVvC
Name 1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-3-IODO-4-ISOBUTYRAMIDO-1H-PYRAZOLO-[3,4-D]-PYRIMIDINE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18IN5O4
InChI InChI=1S/C14H18IN5O4/c1-6(2)14(23)18-12-10-11(15)19-20(13(10)17-5-16-12)9-3-7(22)8(4-21)24-9/h5-9,21-22H,3-4H2,1-2H3,(H,16,17,18,23)/t7-,8+,9+/m1/s1
InChIKey MJNMQGIQYRHILE-VGMNWLOBSA-N
Literature Reference Author F.SEELA,M.ZULAUF
Literature Reference Citation J.CHEM.SOC.PERKIN-1,479(1999)
Literature Reference DOI 10.1039/a808769e
Molecular Weight 447.233 g/mol
Solvent DMSO-D6
Source File Reference UWGE3367