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9-[[1-(benzyl)-4-piperidyl]methyl]-6-(methylthio)purine
SpectraBase Compound ID EDVAaXQAvOy
InChI InChI=1S/C19H23N5S/c1-25-19-17-18(20-13-21-19)24(14-22-17)12-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3
InChIKey PTQXUIGWXLXHBG-UHFFFAOYSA-N
Mol Weight 353.49 g/mol
Molecular Formula C19H23N5S
Exact Mass 353.167417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkytB8BY9B4
Name 9-[[1-(benzyl)-4-piperidyl]methyl]-6-(methylthio)purine
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H23N5S
InChI InChI=1S/C19H23N5S/c1-25-19-17-18(20-13-21-19)24(14-22-17)12-16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3
InChIKey PTQXUIGWXLXHBG-UHFFFAOYSA-N
Literature Reference Author M.I.RODRIGUEZ-FRANCO,M.I.FERNANDEZ-BACHILLER
Literature Reference Citation MAGN.RES.CHEM.,40,549(2002)
Literature Reference DOI 10.1002/mrc.1041
Molecular Weight 353.485 g/mol
Solvent CDCl3
Source File Reference UWKP6408