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TERT.-BUTYL-3-[3-(3-(TERT.-BUTYL)-UREIDO)-4-METHYLPHENYL]-UREA;TBUT
SpectraBase Compound ID 1BQ6Xelfe16
InChI InChI=1S/C17H28N4O2/c1-11-8-9-12(18-14(22)20-16(2,3)4)10-13(11)19-15(23)21-17(5,6)7/h8-10H,1-7H3,(H2,18,20,22)(H2,19,21,23)
InChIKey DFBASGUQMXMKRR-UHFFFAOYSA-N
Mol Weight 320.44 g/mol
Molecular Formula C17H28N4O2
Exact Mass 320.221226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3N4tsc5pbTW
Name TERT.-BUTYL-3-[3-(3-(TERT.-BUTYL)-UREIDO)-4-METHYLPHENYL]-UREA;TBUT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28N4O2
InChI InChI=1S/C17H28N4O2/c1-11-8-9-12(18-14(22)20-16(2,3)4)10-13(11)19-15(23)21-17(5,6)7/h8-10H,1-7H3,(H2,18,20,22)(H2,19,21,23)
InChIKey DFBASGUQMXMKRR-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 320.435 g/mol
Sample ID 35145
Solvent DMSO-D6