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4-(4-Chlorophenyl)-2-(4-ethyl-1-piperazinyl)-6-(trifluoromethyl)pyrimidine

View entire compound with spectra: 2 NMR

4-(4-Chlorophenyl)-2-(4-ethyl-1-piperazinyl)-6-(trifluoromethyl)pyrimidine
SpectraBase Compound ID E6VBoYUybyQ
InChI InChI=1S/C17H18ClF3N4/c1-2-24-7-9-25(10-8-24)16-22-14(11-15(23-16)17(19,20)21)12-3-5-13(18)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKey KNUOIGANIYNLEY-UHFFFAOYSA-N
Mol Weight 370.81 g/mol
Molecular Formula C17H18ClF3N4
Exact Mass 370.117209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7cohRkyPLG
Name 4-(4-Chlorophenyl)-2-(4-ethyl-1-piperazinyl)-6-(trifluoromethyl)pyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 370.117208785 u
Formula C17H18ClF3N4
InChI InChI=1S/C17H18ClF3N4/c1-2-24-7-9-25(10-8-24)16-22-14(11-15(23-16)17(19,20)21)12-3-5-13(18)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKey KNUOIGANIYNLEY-UHFFFAOYSA-N
Molecular Weight 370.807 g/mol
SMILES C=1(N=C(C(F)(F)F)C=C(N1)C1=CC=C(C=C1)Cl)N1CCN(CC1)CC