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OCTYL-3-[3-(3-OCTYLUREIDO)-4-METHYLPHENYL]-UREA;OUT

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OCTYL-3-[3-(3-OCTYLUREIDO)-4-METHYLPHENYL]-UREA;OUT
SpectraBase Compound ID CbYQRI0PP6S
InChI InChI=1S/C25H44N4O2/c1-4-6-8-10-12-14-18-26-24(30)28-22-17-16-21(3)23(20-22)29-25(31)27-19-15-13-11-9-7-5-2/h16-17,20H,4-15,18-19H2,1-3H3,(H2,26,28,30)(H2,27,29,31)
InChIKey RSZHDXRFYVEZCQ-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 91fJXMPZWdN
Name OCTYL-3-[3-(3-OCTYLUREIDO)-4-METHYLPHENYL]-UREA;OUT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H44N4O2
InChI InChI=1S/C25H44N4O2/c1-4-6-8-10-12-14-18-26-24(30)28-22-17-16-21(3)23(20-22)29-25(31)27-19-15-13-11-9-7-5-2/h16-17,20H,4-15,18-19H2,1-3H3,(H2,26,28,30)(H2,27,29,31)
InChIKey RSZHDXRFYVEZCQ-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 35140
Solvent DMSO-D6