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1-(4-Chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

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

1-(4-Chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SpectraBase Compound ID 9owual11NZk
InChI InChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)
InChIKey ZFSXZJXLKAJIGS-UHFFFAOYSA-N
Mol Weight 349.14 g/mol
Molecular Formula C14H9Cl2F3N2O
Exact Mass 348.004403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Q4ZzqpxEm3
Name 1-(4-Chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
Comments Computed using HOSE algorithm
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Exact Mass 348.004402806 u
Formula C14H9Cl2F3N2O
InChI InChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)
InChIKey ZFSXZJXLKAJIGS-UHFFFAOYSA-N
Molecular Weight 349.140 g/mol
SMILES C=1(C(F)(F)F)C(=CC=C(NC(NC2=CC=C(C=C2)Cl)=O)C1)Cl