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2,2,3,3,3-Pentafluoro-N-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
SpectraBase Compound ID FyX1QcldfkR
InChI InChI=1S/C20H19F5N2O/c21-19(22,20(23,24)25)18(28)27(16-9-5-2-6-10-16)17-11-13-26(14-12-17)15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKey QKTPTEYHXSMPIW-UHFFFAOYSA-N
Mol Weight 398.38 g/mol
Molecular Formula C20H19F5N2O
Exact Mass 398.141754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FapthNxkPdk
Name 2,2,3,3,3-Pentafluoro-N-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
Comments Computed using HOSE algorithm
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Exact Mass 398.141754054 u
Formula C20H19F5N2O
InChI InChI=1S/C20H19F5N2O/c21-19(22,20(23,24)25)18(28)27(16-9-5-2-6-10-16)17-11-13-26(14-12-17)15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKey QKTPTEYHXSMPIW-UHFFFAOYSA-N
Molecular Weight 398.377 g/mol
SMILES C(C(N(C1CCN(C2=CC=CC=C2)CC1)C1=CC=CC=C1)=O)(C(F)(F)F)(F)F