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4-Tert-butylphenyl 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl ether

View entire compound with spectra: 2 NMR

4-Tert-butylphenyl 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl ether
SpectraBase Compound ID Gl3WNDzZPYs
InChI InChI=1S/C21H18ClF3N2O/c1-20(2,3)14-6-10-16(11-7-14)28-19-26-17(12-18(27-19)21(23,24)25)13-4-8-15(22)9-5-13/h4-12H,1-3H3
InChIKey DHDLGPQUUXHQNR-UHFFFAOYSA-N
Mol Weight 406.84 g/mol
Molecular Formula C21H18ClF3N2O
Exact Mass 406.105975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHhoBRhShgc
Name 4-Tert-butylphenyl 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl ether
Comments Computed using HOSE algorithm
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Exact Mass 406.105975396 u
Formula C21H18ClF3N2O
InChI InChI=1S/C21H18ClF3N2O/c1-20(2,3)14-6-10-16(11-7-14)28-19-26-17(12-18(27-19)21(23,24)25)13-4-8-15(22)9-5-13/h4-12H,1-3H3
InChIKey DHDLGPQUUXHQNR-UHFFFAOYSA-N
Molecular Weight 406.836 g/mol
SMILES C=1(N=C(C(F)(F)F)C=C(N1)C=1C=CC(=CC1)Cl)OC=1C=CC(C(C)(C)C)=CC1