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2-(BENZYLSULFANYL)-7H-PURIN-6-ONE

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2-(BENZYLSULFANYL)-7H-PURIN-6-ONE
SpectraBase Compound ID IfqNQ13IiZB
InChI InChI=1S/C12H10N4OS/c17-11-9-10(14-7-13-9)15-12(16-11)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16,17)
InChIKey KWVTWUILORQZBS-UHFFFAOYSA-N
Mol Weight 258.3 g/mol
Molecular Formula C12H10N4OS
Exact Mass 258.057532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BH8dEU3vanL
Name 2-(BENZYLSULFANYL)-7H-PURIN-6-ONE
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10N4OS
InChI InChI=1S/C12H10N4OS/c17-11-9-10(14-7-13-9)15-12(16-11)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16,17)
InChIKey KWVTWUILORQZBS-UHFFFAOYSA-N
Literature Reference Author D.TADDEI,A.M.Z.SLAWIN,J.D.WOOLLINS
Literature Reference Citation EUR.J.ORG.CHEM.,939(2005)
Molecular Weight 258.298 g/mol
Sample ID 39082
Solvent DMSO-D6