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(3S)-1-propyl-3-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine

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

(3S)-1-propyl-3-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine
SpectraBase Compound ID FtLotToqNcg
InChI InChI=1S/C16H22F3NO/c1-2-8-20-9-4-6-14(11-20)13-5-3-7-15(10-13)21-12-16(17,18)19/h3,5,7,10,14H,2,4,6,8-9,11-12H2,1H3/t14-/m1/s1
InChIKey RMFLBNXQMNGIHR-CQSZACIVSA-N
Mol Weight 301.35 g/mol
Molecular Formula C16H22F3NO
Exact Mass 301.165349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4M14tLj11qR
Name (3S)-1-Propyl-3-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.165348820 u
Formula C16H22F3NO
InChI InChI=1S/C16H22F3NO/c1-2-8-20-9-4-6-14(11-20)13-5-3-7-15(10-13)21-12-16(17,18)19/h3,5,7,10,14H,2,4,6,8-9,11-12H2,1H3/t14-/m1/s1
InChIKey RMFLBNXQMNGIHR-CQSZACIVSA-N
Molecular Weight 301.353 g/mol
SMILES C(COC1=CC([C@]2(CN(CCC)CCC2)[H])=CC=C1)(F)(F)F