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4-Cyano-4-phenyl-1-piperidinepropionic acid, 2,2,2-trichloroethyl ester, hydrochloride

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

4-Cyano-4-phenyl-1-piperidinepropionic acid, 2,2,2-trichloroethyl ester, hydrochloride
SpectraBase Compound ID IY8TuQCUVD8
InChI InChI=1S/C17H19Cl3N2O2.ClH/c18-17(19,20)13-24-15(23)6-9-22-10-7-16(12-21,8-11-22)14-4-2-1-3-5-14;/h1-5H,6-11,13H2;1H
InChIKey NWTCVIGEWHFHRK-UHFFFAOYSA-N
Mol Weight 426.17 g/mol
Molecular Formula C17H20Cl4N2O2
Exact Mass 424.027889 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AVy4PVD76aZ
Name 4-Cyano-4-phenyl-1-piperidinepropionic acid, 2,2,2-trichloroethyl ester, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.027888690 u
Formula C17H20Cl4N2O2
InChI InChI=1S/C17H19Cl3N2O2.ClH/c18-17(19,20)13-24-15(23)6-9-22-10-7-16(12-21,8-11-22)14-4-2-1-3-5-14;/h1-5H,6-11,13H2;1H
InChIKey NWTCVIGEWHFHRK-UHFFFAOYSA-N
SMILES Cl.C(Cl)(Cl)(Cl)COC(CCN1CCC(CC1)(C=1C=CC=CC1)C#N)=O
Spectrum/Structure Validation Score (Raman) 0.745701