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7-[[1-(benzyl)-4-piperidyl]methyl]-1,3-dimethyl-xanthine
SpectraBase Compound ID KDRTbRQDEIY
InChI InChI=1S/C20H25N5O2/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)13-16-8-10-24(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKey LSRRREAJVIXSQL-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C20H25N5O2
Exact Mass 367.200825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7f6cqU1Bw8
Name 7-[[1-(benzyl)-4-piperidyl]methyl]-1,3-dimethyl-xanthine
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N5O2
InChI InChI=1S/C20H25N5O2/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)13-16-8-10-24(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKey LSRRREAJVIXSQL-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 367.451 g/mol
Solvent CDCl3
Source File Reference UWKP6404