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N-(3-Pyridylmethyl)-4-piperidone azine

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

N-(3-Pyridylmethyl)-4-piperidone azine
SpectraBase Compound ID 6E0aFImnDD4
InChI InChI=1S/C22H28N6/c1-3-19(15-23-9-1)17-27-11-5-21(6-12-27)25-26-22-7-13-28(14-8-22)18-20-4-2-10-24-16-20/h1-4,9-10,15-16H,5-8,11-14,17-18H2
InChIKey XSBGNYIPUWPIHD-UHFFFAOYSA-N
Mol Weight 376.51 g/mol
Molecular Formula C22H28N6
Exact Mass 376.237545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GMX4hvvOWjx
Name N-(3-Pyridylmethyl)-4-piperidone azine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.237544926 u
Formula C22H28N6
InChI InChI=1S/C22H28N6/c1-3-19(15-23-9-1)17-27-11-5-21(6-12-27)25-26-22-7-13-28(14-8-22)18-20-4-2-10-24-16-20/h1-4,9-10,15-16H,5-8,11-14,17-18H2
InChIKey XSBGNYIPUWPIHD-UHFFFAOYSA-N
Molecular Weight 376.508 g/mol
SMILES C1N(CCC(C1)=NN=C1CCN(CC1)CC=1C=NC=CC1)CC=1C=NC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959031