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TERT.-OCTYL-3-[3-(3-(TERT.-OCTYL)-UREIDO)-4-METHYLPHENYL]-UREA;TOUT
SpectraBase Compound ID 71UHz4sRFhL
InChI InChI=1S/C25H44N4O2/c1-17-12-13-18(26-20(30)28-24(8,9)15-22(2,3)4)14-19(17)27-21(31)29-25(10,11)16-23(5,6)7/h12-14H,15-16H2,1-11H3,(H2,26,28,30)(H2,27,29,31)
InChIKey UEVYAYRCXLBHPZ-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 FxMnJ8EUKB1
Name TERT.-OCTYL-3-[3-(3-(TERT.-OCTYL)-UREIDO)-4-METHYLPHENYL]-UREA;TOUT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H44N4O2
InChI InChI=1S/C25H44N4O2/c1-17-12-13-18(26-20(30)28-24(8,9)15-22(2,3)4)14-19(17)27-21(31)29-25(10,11)16-23(5,6)7/h12-14H,15-16H2,1-11H3,(H2,26,28,30)(H2,27,29,31)
InChIKey UEVYAYRCXLBHPZ-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 35146
Solvent DMSO-D6