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N-(3-chlorophenyl)-4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinamine

View entire compound with spectra: 2 NMR

N-(3-chlorophenyl)-4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinamine
SpectraBase Compound ID 28GCTRwUnav
InChI InChI=1S/C17H10Cl2F3N3/c18-11-6-4-10(5-7-11)14-9-15(17(20,21)22)25-16(24-14)23-13-3-1-2-12(19)8-13/h1-9H,(H,23,24,25)
InChIKey PHWVKGPFSYFRDX-UHFFFAOYSA-N
Mol Weight 384.19 g/mol
Molecular Formula C17H10Cl2F3N3
Exact Mass 383.020387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOyj0dENfZP
Name N-(3-Chlorophenyl)-4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinamine
Comments Computed using HOSE algorithm
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Exact Mass 383.020387223 u
Formula C17H10Cl2F3N3
InChI InChI=1S/C17H10Cl2F3N3/c18-11-6-4-10(5-7-11)14-9-15(17(20,21)22)25-16(24-14)23-13-3-1-2-12(19)8-13/h1-9H,(H,23,24,25)
InChIKey PHWVKGPFSYFRDX-UHFFFAOYSA-N
Molecular Weight 384.189 g/mol
SMILES N(C=1N=C(C(F)(F)F)C=C(N1)C=1C=CC(=CC1)Cl)C=1C=C(Cl)C=CC1