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3-N-BENZYL-1-(2-BROMO-2-DEOXY-3,5-DI-O-ACETYL-BETA-D-RIBOFURANOSYL)-THIENO-[3.2-D]-PYRIMIDINE-2,4-DIONE
SpectraBase Compound ID H758EXz03bW
InChI InChI=1S/C22H21BrN2O7S/c1-12(26)30-11-16-18(31-13(2)27)17(23)21(32-16)25-15-8-9-33-19(15)20(28)24(22(25)29)10-14-6-4-3-5-7-14/h3-9,16-18,21H,10-11H2,1-2H3/t16-,17-,18-,21-/m1/s1
InChIKey MPEBQLXKVYWWPH-NEYJZJCJSA-N
Mol Weight 537.38 g/mol
Molecular Formula C22H21BrN2O7S
Exact Mass 536.025285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FF9zKSqgZYS
Name 3-N-BENZYL-1-(2-BROMO-2-DEOXY-3,5-DI-O-ACETYL-BETA-D-RIBOFURANOSYL)-THIENO-[3.2-D]-PYRIMIDINE-2,4-DIONE
Compound Number XX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21BrN2O7S
InChI InChI=1S/C22H21BrN2O7S/c1-12(26)30-11-16-18(31-13(2)27)17(23)21(32-16)25-15-8-9-33-19(15)20(28)24(22(25)29)10-14-6-4-3-5-7-14/h3-9,16-18,21H,10-11H2,1-2H3/t16-,17-,18-,21-/m1/s1
InChIKey MPEBQLXKVYWWPH-NEYJZJCJSA-N
Literature Reference Author C.FOSSEY,D.LADUREE,M.ROBBA
Literature Reference Citation J.HETCYCL.CHEM.,32,627(1995)
Literature Reference DOI 10.1002/jhet.5570320243
Molecular Weight 537.382 g/mol
Solvent DMSO-D6
Source File Reference UWMZ4046