John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FPYkjLJg0Ih SpectraBase Spectrum ID=8kOMUHewDEi

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3-[2-(3H-imidazol-4-yl)ethyl]-1-[3-[[2-(3H-imidazol-4-yl)ethylcarbamoylamino]methyl]benzyl]urea
SpectraBase Compound ID FPYkjLJg0Ih
InChI InChI=1S/C20H26N8O2/c29-19(23-6-4-17-11-21-13-27-17)25-9-15-2-1-3-16(8-15)10-26-20(30)24-7-5-18-12-22-14-28-18/h1-3,8,11-14H,4-7,9-10H2,(H,21,27)(H,22,28)(H2,23,25,29)(H2,24,26,30)
InChIKey OMOAQBDEMMVYME-UHFFFAOYSA-N
Mol Weight 410.48 g/mol
Molecular Formula C20H26N8O2
Exact Mass 410.217872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kOMUHewDEi
Name 3-[2-(3H-imidazol-4-yl)ethyl]-1-[3-[[2-(3H-imidazol-4-yl)ethylcarbamoylamino]methyl]benzyl]urea
Compound Number 37
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26N8O2
InChI InChI=1S/C20H26N8O2/c29-19(23-6-4-17-11-21-13-27-17)25-9-15-2-1-3-16(8-15)10-26-20(30)24-7-5-18-12-22-14-28-18/h1-3,8,11-14H,4-7,9-10H2,(H,21,27)(H,22,28)(H2,23,25,29)(H2,24,26,30)
InChIKey OMOAQBDEMMVYME-UHFFFAOYSA-N
Literature Reference Author H.H.ZEPIK,S.A.BENNER
Literature Reference Citation J.ORG.CHEM.,64,8080(1999)
Literature Reference DOI 10.1021/jo982418+
Molecular Weight 410.479 g/mol
Sample ID 40422
Solvent DMSO-D6
SpectraBase Batch ID DA7qgav3K38