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1-Benzylpiperidin-4-yl hexanoate

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

1-Benzylpiperidin-4-yl hexanoate
SpectraBase Compound ID fbRZqPnluk
InChI InChI=1S/C18H27NO2/c1-2-3-5-10-18(20)21-17-11-13-19(14-12-17)15-16-8-6-4-7-9-16/h4,6-9,17H,2-3,5,10-15H2,1H3
InChIKey MSZFIWNORAKGNE-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 971kU5nPYVz
Name 1-Benzylpiperidin-4-yl hexanoate
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/c1-2-3-5-10-18(20)21-17-11-13-19(14-12-17)15-16-8-6-4-7-9-16/h4,6-9,17H,2-3,5,10-15H2,1H3
InChIKey MSZFIWNORAKGNE-UHFFFAOYSA-N
SMILES C(N1CCC(CC1)OC(CCCCC)=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962895