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N,N-di(phenyl)carbamic acid [2-(isobutyrylamino)-7H-purin-6-yl] ester
SpectraBase Compound ID DkBKC2Daspo
InChI InChI=1S/C22H20N6O3/c1-14(2)19(29)26-21-25-18-17(23-13-24-18)20(27-21)31-22(30)28(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,23,24,25,26,27,29)
InChIKey ZFDFVLGKMZTIKZ-UHFFFAOYSA-N
Mol Weight 416.44 g/mol
Molecular Formula C22H20N6O3
Exact Mass 416.159689 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54Ta5mZy77W
Name N,N-di(phenyl)carbamic acid [2-(isobutyrylamino)-7H-purin-6-yl] ester
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N6O3
InChI InChI=1S/C22H20N6O3/c1-14(2)19(29)26-21-25-18-17(23-13-24-18)20(27-21)31-22(30)28(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3,(H2,23,24,25,26,27,29)
InChIKey ZFDFVLGKMZTIKZ-UHFFFAOYSA-N
Literature Reference Author R.MAREK,J.BRUS,J.TOUSEK,L.KOVACS,D.HOCKOVA
Literature Reference Citation MAGN.RES.CHEM.,40,353(2002)
Literature Reference DOI 10.1002/mrc.1020
Solvent DMSO-D6
Source File Reference UWMZ21135