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1-(Dimethylcarbamoyl)-3-(4'-chlorobenzoyl)-1,3-diphenylurea

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(Dimethylcarbamoyl)-3-(4'-chlorobenzoyl)-1,3-diphenylurea
SpectraBase Compound ID KgubXIP7xXf
InChI InChI=1S/C23H20ClN3O3/c1-25(2)22(29)27(20-11-7-4-8-12-20)23(30)26(19-9-5-3-6-10-19)21(28)17-13-15-18(24)16-14-17/h3-16H,1-2H3
InChIKey YBYCMDWCISRBAD-UHFFFAOYSA-N
Mol Weight 421.88 g/mol
Molecular Formula C23H20ClN3O3
Exact Mass 421.119319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5MMZSygSw3d
Name 1-(Dimethylcarbamoyl)-3-(4'-chlorobenzoyl)-1,3-diphenylurea
Comments Computed using HOSE algorithm
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Exact Mass 421.119319213 u
Formula C23H20ClN3O3
InChI InChI=1S/C23H20ClN3O3/c1-25(2)22(29)27(20-11-7-4-8-12-20)23(30)26(19-9-5-3-6-10-19)21(28)17-13-15-18(24)16-14-17/h3-16H,1-2H3
InChIKey YBYCMDWCISRBAD-UHFFFAOYSA-N
Molecular Weight 421.884 g/mol
SMILES C(N(C(N(C)C)=O)C=1C=CC=CC1)(N(C(C=1C=CC(=CC1)Cl)=O)C1=CC=CC=C1)=O