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2-ETHYLHEXYL-3-[3-(3-(2-ETHYLHEXYL)-UREIDO)-6-METHYLPHENYL]-UREA;2,6-EHUT

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2-ETHYLHEXYL-3-[3-(3-(2-ETHYLHEXYL)-UREIDO)-6-METHYLPHENYL]-UREA;2,6-EHUT
SpectraBase Compound ID 5clBeGNv7pX
InChI InChI=1S/C25H44N4O2/c1-6-10-13-20(8-3)17-26-24(30)28-22-15-12-16-23(19(22)5)29-25(31)27-18-21(9-4)14-11-7-2/h12,15-16,20-21H,6-11,13-14,17-18H2,1-5H3,(H2,26,28,30)(H2,27,29,31)
InChIKey UFAUBPCDFJSKJS-UHFFFAOYSA-N
Mol Weight 432.7 g/mol
Molecular Formula C25H44N4O2
Exact Mass 432.346427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tK2r4lhWzs
Name 2-ETHYLHEXYL-3-[3-(3-(2-ETHYLHEXYL)-UREIDO)-6-METHYLPHENYL]-UREA;2,6-EHUT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H44N4O2
InChI InChI=1S/C25H44N4O2/c1-6-10-13-20(8-3)17-26-24(30)28-22-15-12-16-23(19(22)5)29-25(31)27-18-21(9-4)14-11-7-2/h12,15-16,20-21H,6-11,13-14,17-18H2,1-5H3,(H2,26,28,30)(H2,27,29,31)
InChIKey UFAUBPCDFJSKJS-UHFFFAOYSA-N
Literature Reference Author V.SIMIC,L.BOUTEILLER,M.JALABERT
Literature Reference Citation J.AM.CHEM.SOC.,125,13148(2003)
Literature Reference DOI 10.1021/ja037589x
Molecular Weight 432.650 g/mol
Sample ID 35148
Solvent DMSO-D6