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1-[2-(4-Fluorophenyl)ethyl]-N-phenyl-N-([4-(trifluoromethyl)phenyl]methyl)piperidin-4-amine
SpectraBase Compound ID KD2OBdUGVBz
InChI InChI=1S/C27H28F4N2/c28-24-12-8-21(9-13-24)14-17-32-18-15-26(16-19-32)33(25-4-2-1-3-5-25)20-22-6-10-23(11-7-22)27(29,30)31/h1-13,26H,14-20H2
InChIKey IKAQUQBWVQKVAZ-UHFFFAOYSA-N
Mol Weight 456.53 g/mol
Molecular Formula C27H28F4N2
Exact Mass 456.218862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5qYroip7Wm
Name 1-[2-(4-Fluorophenyl)ethyl]-N-phenyl-N-([4-(trifluoromethyl)phenyl]methyl)piperidin-4-amine
Comments Computed using HOSE algorithm
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Exact Mass 456.218861562 u
Formula C27H28F4N2
InChI InChI=1S/C27H28F4N2/c28-24-12-8-21(9-13-24)14-17-32-18-15-26(16-19-32)33(25-4-2-1-3-5-25)20-22-6-10-23(11-7-22)27(29,30)31/h1-13,26H,14-20H2
InChIKey IKAQUQBWVQKVAZ-UHFFFAOYSA-N
Molecular Weight 456.529 g/mol
SMILES C1(N(C2=CC=CC=C2)CC2=CC=C(C(F)(F)F)C=C2)CCN(CC1)CCC1=CC=C(C=C1)F