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1-Benzyl-3-[3-(3-benzyl-ureidomethyl)-3,5,5-trimethyl-cyclohexyl]-urea
SpectraBase Compound ID Iez7o5uSSVY
InChI InChI=1S/C26H36N4O2/c1-25(2)14-22(30-24(32)28-17-21-12-8-5-9-13-21)15-26(3,18-25)19-29-23(31)27-16-20-10-6-4-7-11-20/h4-13,22H,14-19H2,1-3H3,(H2,27,29,31)(H2,28,30,32)
InChIKey PAUVRPXWIPGODF-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H36N4O2
Exact Mass 436.283826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpeMPeeT2Kb
Name 1-Benzyl-3-[3-(3-benzyl-ureidomethyl)-3,5,5-trimethyl-cyclohexyl]-urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N4O2
InChI InChI=1S/C26H36N4O2/c1-25(2)14-22(30-24(32)28-17-21-12-8-5-9-13-21)15-26(3,18-25)19-29-23(31)27-16-20-10-6-4-7-11-20/h4-13,22H,14-19H2,1-3H3,(H2,27,29,31)(H2,28,30,32)
InChIKey PAUVRPXWIPGODF-UHFFFAOYSA-N
Molecular Weight 436.600 g/mol
SMILES N(C(NCc1ccccc1)=O)C1CC(CNC(NCc2ccccc2)=O)(CC(C1)(C)C)C
SPLASH splash10-0a4l-8920000000-2de96355e15812f2df53
Synonyms N-Benzyl-N'-[3-({[(benzylamino)carbonyl]amino}methyl)-3,5,5-trimethylcyclohexyl]urea
Wiley ID 1454668