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3-Phenyl-3-piperidin-1-yl-propionic acid, t-butyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3-Phenyl-3-piperidin-1-yl-propionic acid, t-butyl ester
SpectraBase Compound ID K7FbE9bJIt5
InChI InChI=1S/C18H27NO2/c1-18(2,3)21-17(20)14-16(15-10-6-4-7-11-15)19-12-8-5-9-13-19/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3
InChIKey JLEYQEONAXDYLZ-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7M8HUmztAdH
Name 3-Phenyl-3-piperidin-1-yl-propionic acid, T-butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.204179111 u
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-18(2,3)21-17(20)14-16(15-10-6-4-7-11-15)19-12-8-5-9-13-19/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3
InChIKey JLEYQEONAXDYLZ-UHFFFAOYSA-N
SMILES C1=CC(C(CC(OC(C)(C)C)=O)N2CCCCC2)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850698