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1-{[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

View entire compound with spectra: 2 NMR

1-{[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
SpectraBase Compound ID LlZ0PjDhapt
InChI InChI=1S/C22H18Cl2F3N3O2/c1-13-18(20(28-32-13)19-16(23)6-3-7-17(19)24)21(31)30-10-8-29(9-11-30)15-5-2-4-14(12-15)22(25,26)27/h2-7,12H,8-11H2,1H3
InChIKey KFOWJXRKNNZZHQ-UHFFFAOYSA-N
Mol Weight 484.31 g/mol
Molecular Formula C22H18Cl2F3N3O2
Exact Mass 483.072817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FypTXA50b6E
Name 1-{[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 483.072816719 u
Formula C22H18Cl2F3N3O2
InChI InChI=1S/C22H18Cl2F3N3O2/c1-13-18(20(28-32-13)19-16(23)6-3-7-17(19)24)21(31)30-10-8-29(9-11-30)15-5-2-4-14(12-15)22(25,26)27/h2-7,12H,8-11H2,1H3
InChIKey KFOWJXRKNNZZHQ-UHFFFAOYSA-N
Molecular Weight 484.306 g/mol
SMILES C=1(C(=NOC1C)C1=C(Cl)C=CC=C1Cl)C(N1CCN(CC1)C=1C=C(C(F)(F)F)C=CC1)=O