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2-(3,4,5-Trimethoxyphenyl)-2-(piperidin-1-yl) acetonitrile

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

2-(3,4,5-Trimethoxyphenyl)-2-(piperidin-1-yl) acetonitrile
SpectraBase Compound ID 1ASEWsP51td
InChI InChI=1S/C16H22N2O3/c1-19-14-9-12(10-15(20-2)16(14)21-3)13(11-17)18-7-5-4-6-8-18/h9-10,13H,4-8H2,1-3H3
InChIKey WBFUBWLSRCTIPU-UHFFFAOYSA-N
Mol Weight 290.36 g/mol
Molecular Formula C16H22N2O3
Exact Mass 290.163043 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ZY6HPMeBEY
Name 2-(3,4,5-Trimethoxyphenyl)-2-(piperidin-1-yl) acetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.163042573 u
Formula C16H22N2O3
InChI InChI=1S/C16H22N2O3/c1-19-14-9-12(10-15(20-2)16(14)21-3)13(11-17)18-7-5-4-6-8-18/h9-10,13H,4-8H2,1-3H3
InChIKey WBFUBWLSRCTIPU-UHFFFAOYSA-N
SMILES C1(C(N2CCCCC2)C#N)=CC(OC)=C(C(=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835992