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1-(2-adamantyl)-3-[diisobutylalumanyl(phenyl)carbamoyl]-3-phenyl-1-(1-piperidyl)urea
SpectraBase Compound ID BrOF9rHPprE
InChI InChI=1S/C29H36N4O2.2C4H9.Al/c34-28(30-25-10-4-1-5-11-25)32(26-12-6-2-7-13-26)29(35)33(31-14-8-3-9-15-31)27-23-17-21-16-22(19-23)20-24(27)18-21;2*1-4(2)3;/h1-2,4-7,10-13,21-24,27H,3,8-9,14-20H2,(H,30,34);2*4H,1H2,2-3H3;/q;;;+1/p-1/t21?,22?,23-,24?,27-;;;/m1.../s1
InChIKey NTSFLGKVOJEKGG-GQWFBQQDSA-M
Mol Weight 612.8 g/mol
Molecular Formula C37H53AlN4O2
Exact Mass 612.39839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rZQeschkcE
Name 1-(2-adamantyl)-3-[diisobutylalumanyl(phenyl)carbamoyl]-3-phenyl-1-(1-piperidyl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H53AlN4O2
InChI InChI=1S/C29H36N4O2.2C4H9.Al/c34-28(30-25-10-4-1-5-11-25)32(26-12-6-2-7-13-26)29(35)33(31-14-8-3-9-15-31)27-23-17-21-16-22(19-23)20-24(27)18-21;2*1-4(2)3;/h1-2,4-7,10-13,21-24,27H,3,8-9,14-20H2,(H,30,34);2*4H,1H2,2-3H3;/q;;;+1/p-1/t21?,22?,23-,24?,27-;;;/m1.../s1
InChIKey NTSFLGKVOJEKGG-GQWFBQQDSA-M
Molecular Weight 612.839 g/mol
SMILES C(N(c1ccccc1)[Al](CC(C)C)CC(C)C)(=O)N(c1ccccc1)C(=O)N(N1CCCCC1)[C@]1(C2CC3CC(C2)CC1C3)[H]
SPLASH splash10-014r-0900600000-19a72d1b83df12b8ad54
Source of Spectrum U2-2016-2728-8
Synonyms (3-(((1R,3S,5r,7r)-adamantan-2-yl)(piperidin-1-yl)carbamoyl)-1,3-diphenylureido)diisobutylaluminum (3-(((1r,3r,5r,7r)-adamantan-2-yl)(piperidin-1-yl)carbamoyl)-1,3-diphenylureido)diisobutylaluminum
Wiley ID 1801144