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3,8-DIBENZYL-7-METHYL-1-PROPYL-XANTHINE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3,8-DIBENZYL-7-METHYL-1-PROPYL-XANTHINE
SpectraBase Compound ID 2t91I0YnpdX
InChI InChI=1S/C23H24N4O2/c1-3-14-26-22(28)20-21(27(23(26)29)16-18-12-8-5-9-13-18)24-19(25(20)2)15-17-10-6-4-7-11-17/h4-13H,3,14-16H2,1-2H3
InChIKey OGPZSIVZCNZSIS-UHFFFAOYSA-N
Mol Weight 388.47 g/mol
Molecular Formula C23H24N4O2
Exact Mass 388.189926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eDHdjAFHIM
Name 3,8-DIBENZYL-7-METHYL-1-PROPYL-XANTHINE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24N4O2
InChI InChI=1S/C23H24N4O2/c1-3-14-26-22(28)20-21(27(23(26)29)16-18-12-8-5-9-13-18)24-19(25(20)2)15-17-10-6-4-7-11-17/h4-13H,3,14-16H2,1-2H3
InChIKey OGPZSIVZCNZSIS-UHFFFAOYSA-N
Literature Reference Author A.R.HERGUETA,M.J.FIGUEIRA,C.LOPEZ,O.CAAMANO,F.FERNANDEZ,J.E. RODRIGUEZ-BORGES
Literature Reference Citation CHEM.PHARM.BULL.,50,1379(2002)
Literature Reference DOI 10.1248/cpb.50.1379
Molecular Weight 388.469 g/mol
Solvent CDCl3
Source File Reference UWMS20108