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4-[2-(1-Isoquinolinyl)ethyl]-1-piperidinecarboxylic acid tert-butyl ester

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

4-[2-(1-Isoquinolinyl)ethyl]-1-piperidinecarboxylic acid tert-butyl ester
SpectraBase Compound ID 4NpQVJN2EB7
InChI InChI=1S/C21H28N2O2/c1-21(2,3)25-20(24)23-14-11-16(12-15-23)8-9-19-18-7-5-4-6-17(18)10-13-22-19/h4-7,10,13,16H,8-9,11-12,14-15H2,1-3H3
InChIKey HGDBLFBCHZWXCF-UHFFFAOYSA-N
Mol Weight 340.47 g/mol
Molecular Formula C21H28N2O2
Exact Mass 340.215078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvTXRsf37mt
Name 4-[2-(1-Isoquinolinyl)ethyl]-1-piperidinecarboxylic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.215078148 u
Formula C21H28N2O2
InChI InChI=1S/C21H28N2O2/c1-21(2,3)25-20(24)23-14-11-16(12-15-23)8-9-19-18-7-5-4-6-17(18)10-13-22-19/h4-7,10,13,16H,8-9,11-12,14-15H2,1-3H3
InChIKey HGDBLFBCHZWXCF-UHFFFAOYSA-N
Molecular Weight 340.467 g/mol
SMILES C1N(CCC(C1)CCC1=NC=CC=2C=CC=CC12)C(=O)OC(C)(C)C