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8-BENZYL-3-FURFURYL-7-METHYL-1-PROPYL-XANTHINE

View entire compound with spectra: 1 NMR

8-BENZYL-3-FURFURYL-7-METHYL-1-PROPYL-XANTHINE
SpectraBase Compound ID 74fSzqos9n5
InChI InChI=1S/C21H22N4O3/c1-3-11-24-20(26)18-19(25(21(24)27)14-16-10-7-12-28-16)22-17(23(18)2)13-15-8-5-4-6-9-15/h4-10,12H,3,11,13-14H2,1-2H3
InChIKey CTVYBDZFLIPCGP-UHFFFAOYSA-N
Mol Weight 378.43 g/mol
Molecular Formula C21H22N4O3
Exact Mass 378.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOXeupARIH6
Name 8-BENZYL-3-FURFURYL-7-METHYL-1-PROPYL-XANTHINE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N4O3
InChI InChI=1S/C21H22N4O3/c1-3-11-24-20(26)18-19(25(21(24)27)14-16-10-7-12-28-16)22-17(23(18)2)13-15-8-5-4-6-9-15/h4-10,12H,3,11,13-14H2,1-2H3
InChIKey CTVYBDZFLIPCGP-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 378.431 g/mol
Solvent CDCl3
Source File Reference UWMS20106