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1-(2-[BIS-[2-(3-[2-[1-(1-DODECANYL)-1H-IMIDAZOL-4-YL]-ETHYL]-UREIDO)-PROPYL]-AMINO]-PROPYL)-3-[2-[1-(1-DODECANYL)-1H-IMIDAZOL-4-YL)-ETHYL]-UREA
SpectraBase Compound ID 7h3hZE12c7z
InChI InChI=1S/C63H117N13O3/c1-4-7-10-13-16-19-22-25-28-31-46-74-52-58(70-55-74)37-43-67-61(77)64-40-34-49-73(50-35-41-65-62(78)68-44-38-59-53-75(56-71-59)47-32-29-26-23-20-17-14-11-8-5-2)51-36-42-66-63(79)69-45-39-60-54-76(57-72-60)48-33-30-27-24-21-18-15-12-9-6-3/h52-57H,4-51H2,1-3H3,(H2,64,67,77)(H2,65,68,78)(H2,66,69,79)
InChIKey VZMLALRFTBZALH-UHFFFAOYSA-N
Mol Weight 1104.7 g/mol
Molecular Formula C63H117N13O3
Exact Mass 1103.940235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HjGa6MBaTJZ
Name 1-(2-[BIS-[2-(3-[2-[1-(1-DODECANYL)-1H-IMIDAZOL-4-YL]-ETHYL]-UREIDO)-PROPYL]-AMINO]-PROPYL)-3-[2-[1-(1-DODECANYL)-1H-IMIDAZOL-4-YL)-ETHYL]-UREA
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H117N13O3
InChI InChI=1S/C63H117N13O3/c1-4-7-10-13-16-19-22-25-28-31-46-74-52-58(70-55-74)37-43-67-61(77)64-40-34-49-73(50-35-41-65-62(78)68-44-38-59-53-75(56-71-59)47-32-29-26-23-20-17-14-11-8-5-2)51-36-42-66-63(79)69-45-39-60-54-76(57-72-60)48-33-30-27-24-21-18-15-12-9-6-3/h52-57H,4-51H2,1-3H3,(H2,64,67,77)(H2,65,68,78)(H2,66,69,79)
InChIKey VZMLALRFTBZALH-UHFFFAOYSA-N
Literature Reference Author R.JAIRAM,P.G.POTVIN,S.BALSKY
Literature Reference Citation J.CHEM.SOC.PERKIN-2,363(1999)
Literature Reference DOI 10.1039/a804352c
Molecular Weight 1104.707 g/mol
Solvent CDCl3
Source File Reference UWRU10281