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1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-IODO-1H-PYRAZOLO-[3,4-D]-PYRIMIDINE
SpectraBase Compound ID 4tql5VApjL2
InChI InChI=1S/C13H17IN6O3/c1-19(2)6-17-12-10-11(14)18-20(13(10)16-5-15-12)9-3-7(22)8(4-21)23-9/h5-9,21-22H,3-4H2,1-2H3/b17-6+/t7-,8+,9+/m1/s1
InChIKey GXWAOIPSIFLQSY-PNZQSOCASA-N
Mol Weight 432.22 g/mol
Molecular Formula C13H17IN6O3
Exact Mass 432.040683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6opeydtawqe
Name 1-(2-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-3-IODO-1H-PYRAZOLO-[3,4-D]-PYRIMIDINE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17IN6O3
InChI InChI=1S/C13H17IN6O3/c1-19(2)6-17-12-10-11(14)18-20(13(10)16-5-15-12)9-3-7(22)8(4-21)23-9/h5-9,21-22H,3-4H2,1-2H3/b17-6+/t7-,8+,9+/m1/s1
InChIKey GXWAOIPSIFLQSY-PNZQSOCASA-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 432.221 g/mol
Solvent DMSO-D6
Source File Reference UWGE3363