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7-(5'-DEOXY-5'-IODO-ALPHA-D-RIBOFURANOSYL)-THIENO-[3,4-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID C2Fqja44c5I
InChI InChI=1S/C11H11IN2O4S/c12-1-5-7(15)8(16)9(18-5)10-6-4(2-19-10)11(17)14-3-13-6/h2-3,5,7-9,15-16H,1H2,(H,13,14,17)/t5-,7-,8-,9-/m0/s1
InChIKey UBPUUDRVOCZVBP-ZITKLIBNSA-N
Mol Weight 394.18 g/mol
Molecular Formula C11H11IN2O4S
Exact Mass 393.948423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2SwPf36XhT
Name 7-(5'-DEOXY-5'-IODO-ALPHA-D-RIBOFURANOSYL)-THIENO-[3,4-D]-PYRIMIDIN-4(3H)-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11IN2O4S
InChI InChI=1S/C11H11IN2O4S/c12-1-5-7(15)8(16)9(18-5)10-6-4(2-19-10)11(17)14-3-13-6/h2-3,5,7-9,15-16H,1H2,(H,13,14,17)/t5-,7-,8-,9-/m0/s1
InChIKey UBPUUDRVOCZVBP-ZITKLIBNSA-N
Literature Reference Author S.A.PATIL,B.A.OTTER,R.S.KLEIN
Literature Reference Citation J.HETCYCL.CHEM.,30,509(1993)
Literature Reference DOI 10.1002/jhet.5570300240
Molecular Weight 394.184 g/mol
Solvent DMSO-D6:D2O
Source File Reference UWGE276