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3-METHYLBUTYL-3-[3-(3-(3-METHYLBUTYL)-UREIDO)-4-METHYLPHENYL]-UREA;MBUT
SpectraBase Compound ID SIrxw7YCy1
InChI InChI=1S/C19H32N4O2/c1-13(2)8-10-20-18(24)22-16-7-6-15(5)17(12-16)23-19(25)21-11-9-14(3)4/h6-7,12-14H,8-11H2,1-5H3,(H2,20,22,24)(H2,21,23,25)
InChIKey CWTIZHMLSJLPSV-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C19H32N4O2
Exact Mass 348.252526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HO0N6U9mlQ
Name 3-METHYLBUTYL-3-[3-(3-(3-METHYLBUTYL)-UREIDO)-4-METHYLPHENYL]-UREA;MBUT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H32N4O2
InChI InChI=1S/C19H32N4O2/c1-13(2)8-10-20-18(24)22-16-7-6-15(5)17(12-16)23-19(25)21-11-9-14(3)4/h6-7,12-14H,8-11H2,1-5H3,(H2,20,22,24)(H2,21,23,25)
InChIKey CWTIZHMLSJLPSV-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 348.489 g/mol
Sample ID 35141
Solvent DMSO-D6