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3,8-DIBENZYL-7-METHYL-1-PHENYL-XANTHINE
SpectraBase Compound ID E0zfRjLYyfH
InChI InChI=1S/C26H22N4O2/c1-28-22(17-19-11-5-2-6-12-19)27-24-23(28)25(31)30(21-15-9-4-10-16-21)26(32)29(24)18-20-13-7-3-8-14-20/h2-16H,17-18H2,1H3
InChIKey ZWUAOXBMWYGSLN-UHFFFAOYSA-N
Mol Weight 422.49 g/mol
Molecular Formula C26H22N4O2
Exact Mass 422.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5heZ3wJP0nu
Name 3,8-DIBENZYL-7-METHYL-1-PHENYL-XANTHINE
Compound Number 4L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H22N4O2
InChI InChI=1S/C26H22N4O2/c1-28-22(17-19-11-5-2-6-12-19)27-24-23(28)25(31)30(21-15-9-4-10-16-21)26(32)29(24)18-20-13-7-3-8-14-20/h2-16H,17-18H2,1H3
InChIKey ZWUAOXBMWYGSLN-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 422.486 g/mol
Solvent CDCl3
Source File Reference UWMS20113