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9-BENZYL-6-[2-(BENZYLSULFANYL)-ETHYL]-PURINE
SpectraBase Compound ID J5BtwZfpDiL
InChI InChI=1S/C21H20N4S/c1-3-7-17(8-4-1)13-25-16-24-20-19(22-15-23-21(20)25)11-12-26-14-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKey RUBLTPBKGPANSX-UHFFFAOYSA-N
Mol Weight 360.48 g/mol
Molecular Formula C21H20N4S
Exact Mass 360.140868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47DNPJQvXHL
Name 9-BENZYL-6-[2-(BENZYLSULFANYL)-ETHYL]-PURINE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N4S
InChI InChI=1S/C21H20N4S/c1-3-7-17(8-4-1)13-25-16-24-20-19(22-15-23-21(20)25)11-12-26-14-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
InChIKey RUBLTPBKGPANSX-UHFFFAOYSA-N
Literature Reference Author M.KUCHAR,R.POHL,I.VOTRUBA,M.HOCEK
Literature Reference Citation EUR.J.ORG.CHEM.,5083(2006)
Molecular Weight 360.477 g/mol
Sample ID 33012
Solvent CDCl3