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1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-heptafluorobutanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-heptafluorobutanoate
SpectraBase Compound ID KRddcg847mi
InChI InChI=1S/C17H17F8NO2/c18-12-3-1-11(2-4-12)5-8-26-9-6-13(7-10-26)28-14(27)15(19,20)16(21,22)17(23,24)25/h1-4,13H,5-10H2
InChIKey RIYVFLLSAUWDBS-UHFFFAOYSA-N
Mol Weight 419.32 g/mol
Molecular Formula C17H17F8NO2
Exact Mass 419.113154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeaQ4PZrt0z
Name 1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-heptafluorobutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.113154093 u
Formula C17H17F8NO2
InChI InChI=1S/C17H17F8NO2/c18-12-3-1-11(2-4-12)5-8-26-9-6-13(7-10-26)28-14(27)15(19,20)16(21,22)17(23,24)25/h1-4,13H,5-10H2
InChIKey RIYVFLLSAUWDBS-UHFFFAOYSA-N
Molecular Weight 419.315 g/mol
SMILES C(C(C(OC1CCN(CC1)CCC1=CC=C(C=C1)F)=O)(F)F)(C(F)(F)F)(F)F