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1,1'-(Methylenedi-p-phenylene)bis[3-cyclohexyl-3-isopropylurea]

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1,1'-(Methylenedi-p-phenylene)bis[3-cyclohexyl-3-isopropylurea]
SpectraBase Compound ID 7fQCf2nkOg4
InChI InChI=1S/C33H48N4O2/c1-24(2)36(30-11-7-5-8-12-30)32(38)34-28-19-15-26(16-20-28)23-27-17-21-29(22-18-27)35-33(39)37(25(3)4)31-13-9-6-10-14-31/h15-22,24-25,30-31H,5-14,23H2,1-4H3,(H,34,38)(H,35,39)
InChIKey VONNBAAQJOTZBY-UHFFFAOYSA-N
Mol Weight 532.8 g/mol
Molecular Formula C33H48N4O2
Exact Mass 532.377727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5EP5BcAqXf
Name 1,1'-(Methylenedi-p-phenylene)bis[3-cyclohexyl-3-isopropylurea]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.377726800 u
Formula C33H48N4O2
InChI InChI=1S/C33H48N4O2/c1-24(2)36(30-11-7-5-8-12-30)32(38)34-28-19-15-26(16-20-28)23-27-17-21-29(22-18-27)35-33(39)37(25(3)4)31-13-9-6-10-14-31/h15-22,24-25,30-31H,5-14,23H2,1-4H3,(H,34,38)(H,35,39)
InChIKey VONNBAAQJOTZBY-UHFFFAOYSA-N
Molecular Weight 532.773 g/mol
SMILES N(C1=CC=C(CC=2C=CC(=CC2)NC(N(C2CCCCC2)C(C)C)=O)C=C1)C(N(C1CCCCC1)C(C)C)=O