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1-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-4-phenyl-piperidine-4-carboxylic acid ethyl ester

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

1-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-4-phenyl-piperidine-4-carboxylic acid ethyl ester
SpectraBase Compound ID DQZRCZFqcvO
InChI InChI=1S/C22H24BrNO3/c1-2-27-21(26)22(18-6-4-3-5-7-18)12-14-24(15-13-22)16-20(25)17-8-10-19(23)11-9-17/h3-11H,2,12-16H2,1H3
InChIKey FUWYUUJATKQNCY-UHFFFAOYSA-N
Mol Weight 430.34 g/mol
Molecular Formula C22H24BrNO3
Exact Mass 429.093957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IG5xhoWDG82
Name 1-[2-(4-Bromo-phenyl)-2-oxo-ethyl]-4-phenyl-piperidine-4-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.093956634 u
Formula C22H24BrNO3
InChI InChI=1S/C22H24BrNO3/c1-2-27-21(26)22(18-6-4-3-5-7-18)12-14-24(15-13-22)16-20(25)17-8-10-19(23)11-9-17/h3-11H,2,12-16H2,1H3
InChIKey FUWYUUJATKQNCY-UHFFFAOYSA-N
Molecular Weight 430.342 g/mol
SMILES C1(C(=O)OCC)(CCN(CC(C2=CC=C(C=C2)Br)=O)CC1)C1=CC=CC=C1