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3-[4-(4-chlorophenyl)-1-piperazinyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SpectraBase Compound ID 2Q9pEC1UD3Z
InChI InChI=1S/C20H21ClF3N3O2/c21-15-1-5-17(6-2-15)27-13-11-26(12-14-27)10-9-19(28)25-16-3-7-18(8-4-16)29-20(22,23)24/h1-8H,9-14H2,(H,25,28)
InChIKey IQRKWFQONWMZEP-UHFFFAOYSA-N
Mol Weight 427.86 g/mol
Molecular Formula C20H21ClF3N3O2
Exact Mass 427.127439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Uat6BZXY5M
Name 3-[4-(4-Chlorophenyl)-1-piperazinyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
Comments Computed using HOSE algorithm
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Exact Mass 427.127439115 u
Formula C20H21ClF3N3O2
InChI InChI=1S/C20H21ClF3N3O2/c21-15-1-5-17(6-2-15)27-13-11-26(12-14-27)10-9-19(28)25-16-3-7-18(8-4-16)29-20(22,23)24/h1-8H,9-14H2,(H,25,28)
InChIKey IQRKWFQONWMZEP-UHFFFAOYSA-N
Molecular Weight 427.855 g/mol
SMILES C=1C(OC(F)(F)F)=CC=C(NC(CCN2CCN(C=3C=CC(=CC3)Cl)CC2)=O)C1