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1-[2-DEOXY-3,5-DI-O-(PARA-TOULUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-3-IODO-4-METHOXY-1-H-PYRAZOLO-[3.4-D]-PYRIMIDINE
SpectraBase Compound ID LZziJL96eqX
InChI InChI=1S/C27H25IN4O6/c1-15-4-8-17(9-5-15)26(33)36-13-20-19(38-27(34)18-10-6-16(2)7-11-18)12-21(37-20)32-24-22(23(28)31-32)25(35-3)30-14-29-24/h4-11,14,19-21H,12-13H2,1-3H3/t19-,20+,21+/m1/s1
InChIKey CKYBNYUPRJQTHC-HKBOAZHASA-N
Mol Weight 628.42 g/mol
Molecular Formula C27H25IN4O6
Exact Mass 628.08188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5jlSe1goWV
Name 2-[2-DEOXY-3,5-DI-O-(PARA-TOULUOYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-3-IODO-4-METHOXY-1-H-PYRAZOLO-[3.4-D]-PYRIMIDINE
Compound Number 18A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25IN4O6
InChI InChI=1S/C27H25IN4O6/c1-15-4-8-17(9-5-15)26(33)36-13-20-19(38-27(34)18-10-6-16(2)7-11-18)12-21(37-20)32-24-22(23(28)31-32)25(35-3)30-14-29-24/h4-11,14,19-21H,12-13H2,1-3H3/t19-,20+,21+/m1/s1
InChIKey CKYBNYUPRJQTHC-HKBOAZHASA-N
Literature Reference Author F.SEELA,M.ZULAUF
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3233(1998)
Literature Reference DOI 10.1039/a804706e
Molecular Weight 628.423 g/mol
Solvent DMSO-D6
Source File Reference UWMZ6315