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1,5-DIMETHYLHEXYL-3-[3-(3-(1,5-DIMETHYLHEXYL)-UREIDO)-4-METHYLPHENYL]-UREA;DMHUT

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1,5-DIMETHYLHEXYL-3-[3-(3-(1,5-DIMETHYLHEXYL)-UREIDO)-4-METHYLPHENYL]-UREA;DMHUT
SpectraBase Compound ID 3de0L4VmGgp
InChI InChI=1S/C25H44N4O2/c1-17(2)10-8-12-20(6)26-24(30)28-22-15-14-19(5)23(16-22)29-25(31)27-21(7)13-9-11-18(3)4/h14-18,20-21H,8-13H2,1-7H3,(H2,26,28,30)(H2,27,29,31)
InChIKey GZASOFJVJNTBLT-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 5fgKe0p1ree
Name 1,5-DIMETHYLHEXYL-3-[3-(3-(1,5-DIMETHYLHEXYL)-UREIDO)-4-METHYLPHENYL]-UREA;DMHUT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H44N4O2
InChI InChI=1S/C25H44N4O2/c1-17(2)10-8-12-20(6)26-24(30)28-22-15-14-19(5)23(16-22)29-25(31)27-21(7)13-9-11-18(3)4/h14-18,20-21H,8-13H2,1-7H3,(H2,26,28,30)(H2,27,29,31)
InChIKey GZASOFJVJNTBLT-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 35142
Solvent DMSO-D6