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3-(2'-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-6-(4-TERT.-BUTYLPHENYL)-2,3-DIHYDROFURO-[2,3-D]-PYRIMIDIN-2-ONE
SpectraBase Compound ID 57geBPXr8Zl
InChI InChI=1S/C21H23IN2O5/c1-21(2,3)12-6-4-11(5-7-12)18-17(22)13-9-24(20(27)23-19(13)29-18)16-8-14(26)15(10-25)28-16/h4-7,9,14-16,25-26H,8,10H2,1-3H3/t14-,15+,16+/m1/s1
InChIKey PPUHFWYRLMTHOC-PMPSAXMXSA-N
Mol Weight 510.33 g/mol
Molecular Formula C21H23IN2O5
Exact Mass 510.065167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5MJW12YT1OV
Name 3-(2'-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-6-(4-TERT.-BUTYLPHENYL)-2,3-DIHYDROFURO-[2,3-D]-PYRIMIDIN-2-ONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23IN2O5
InChI InChI=1S/C21H23IN2O5/c1-21(2,3)12-6-4-11(5-7-12)18-17(22)13-9-24(20(27)23-19(13)29-18)16-8-14(26)15(10-25)28-16/h4-7,9,14-16,25-26H,8,10H2,1-3H3/t14-,15+,16+/m1/s1
InChIKey PPUHFWYRLMTHOC-PMPSAXMXSA-N
Literature Reference Author M.S.RAO,N.ESHO,C.SERGEANT,R.DEMBINSKI
Literature Reference Citation J.ORG.CHEM.,68,6788(2003)
Literature Reference DOI 10.1021/jo0345648
Molecular Weight 510.329 g/mol
Solvent DMSO-D6
Source File Reference UWLU28418