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2-(benzyl)-3-methyl-5-(propyl-(propylcarbamoyl)amino)imidazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID CjTkV0HK26z
InChI InChI=1S/C21H30N4O3/c1-5-13-22-21(27)25(14-6-2)19-18(20(26)28-7-3)24(4)17(23-19)15-16-11-9-8-10-12-16/h8-12H,5-7,13-15H2,1-4H3,(H,22,27)
InChIKey VBFHELBPPZGATO-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C21H30N4O3
Exact Mass 386.231791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHBR2KR2ZFp
Name 2-(benzyl)-3-methyl-5-(propyl-(propylcarbamoyl)amino)imidazole-4-carboxylic acid ethyl ester
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30N4O3
InChI InChI=1S/C21H30N4O3/c1-5-13-22-21(27)25(14-6-2)19-18(20(26)28-7-3)24(4)17(23-19)15-16-11-9-8-10-12-16/h8-12H,5-7,13-15H2,1-4H3,(H,22,27)
InChIKey VBFHELBPPZGATO-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 386.494 g/mol
Solvent CDCl3
Source File Reference UWMS20095