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1-(o-Chlorobenzoyl)-3-[(1,3-dibenzylhexahydro-5-pyrimidinyl)methyl]urea

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1-(o-Chlorobenzoyl)-3-[(1,3-dibenzylhexahydro-5-pyrimidinyl)methyl]urea
SpectraBase Compound ID 8mOnVGCmsqg
InChI InChI=1S/C27H29ClN4O2/c28-25-14-8-7-13-24(25)26(33)30-27(34)29-15-23-18-31(16-21-9-3-1-4-10-21)20-32(19-23)17-22-11-5-2-6-12-22/h1-14,23H,15-20H2,(H2,29,30,33,34)
InChIKey OJIMTTVCXHSHHR-UHFFFAOYSA-N
Mol Weight 477.01 g/mol
Molecular Formula C27H29ClN4O2
Exact Mass 476.197904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66EePgE7q5k
Name 1-(o-Chlorobenzoyl)-3-[(1,3-dibenzylhexahydro-5-pyrimidinyl)methyl]urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.197903888 u
Formula C27H29ClN4O2
InChI InChI=1S/C27H29ClN4O2/c28-25-14-8-7-13-24(25)26(33)30-27(34)29-15-23-18-31(16-21-9-3-1-4-10-21)20-32(19-23)17-22-11-5-2-6-12-22/h1-14,23H,15-20H2,(H2,29,30,33,34)
InChIKey OJIMTTVCXHSHHR-UHFFFAOYSA-N
Molecular Weight 477.008 g/mol
SMILES N(CC1CN(CN(C1)CC=1C=CC=CC1)CC=1C=CC=CC1)C(NC(C=1C=CC=CC1Cl)=O)=O