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N-(4-Fluorophenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)pentafluoropropanamide

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N-(4-Fluorophenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)pentafluoropropanamide
SpectraBase Compound ID Fiitgi5pgk
InChI InChI=1S/C20H20F6N2OS/c21-14-3-5-15(6-4-14)28(18(29)19(22,23)20(24,25)26)16-7-10-27(11-8-16)12-9-17-2-1-13-30-17/h1-6,13,16H,7-12H2
InChIKey NNTZLIJLMXDVKA-UHFFFAOYSA-N
Mol Weight 450.44 g/mol
Molecular Formula C20H20F6N2OS
Exact Mass 450.120053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wBTCHcIfm0
Name N-(4-Fluorophenyl)-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)pentafluoropropanamide
Comments Computed using HOSE algorithm
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Exact Mass 450.120053423 u
Formula C20H20F6N2OS
InChI InChI=1S/C20H20F6N2OS/c21-14-3-5-15(6-4-14)28(18(29)19(22,23)20(24,25)26)16-7-10-27(11-8-16)12-9-17-2-1-13-30-17/h1-6,13,16H,7-12H2
InChIKey NNTZLIJLMXDVKA-UHFFFAOYSA-N
Molecular Weight 450.443 g/mol
SMILES C(N(C1CCN(CC1)CCC=1SC=CC1)C=1C=CC(=CC1)F)(C(C(F)(F)F)(F)F)=O