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N-2-Chlorobenzyl-N-4-fluorophenyl-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SpectraBase Compound ID FptDRoqW7Rk
InChI InChI=1S/C26H27ClF2N2/c27-26-4-2-1-3-21(26)19-31(24-11-9-23(29)10-12-24)25-14-17-30(18-15-25)16-13-20-5-7-22(28)8-6-20/h1-12,25H,13-19H2
InChIKey NZQSNLBYGCUPMM-UHFFFAOYSA-N
Mol Weight 440.97 g/mol
Molecular Formula C26H27ClF2N2
Exact Mass 440.183083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5qcUzQqlFc
Name N-2-Chlorobenzyl-N-4-fluorophenyl-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
Comments Computed using HOSE algorithm
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Exact Mass 440.183082903 u
Formula C26H27ClF2N2
InChI InChI=1S/C26H27ClF2N2/c27-26-4-2-1-3-21(26)19-31(24-11-9-23(29)10-12-24)25-14-17-30(18-15-25)16-13-20-5-7-22(28)8-6-20/h1-12,25H,13-19H2
InChIKey NZQSNLBYGCUPMM-UHFFFAOYSA-N
Molecular Weight 440.966 g/mol
SMILES C1(N(C=2C=CC(=CC2)F)CC=2C(=CC=CC2)Cl)CCN(CC1)CCC1=CC=C(C=C1)F