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2-[(1E)-4,4-Dimethyl-1,5-hexadienyl]pyridine

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

2-[(1E)-4,4-Dimethyl-1,5-hexadienyl]pyridine
SpectraBase Compound ID EeytMsFmgfn
InChI InChI=1S/C13H17N/c1-4-13(2,3)10-7-9-12-8-5-6-11-14-12/h4-9,11H,1,10H2,2-3H3/b9-7+
InChIKey AQJJSTANEVMDAM-VQHVLOKHSA-N
Mol Weight 187.29 g/mol
Molecular Formula C13H17N
Exact Mass 187.1361 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8wkHg2dXp0v
Name 2-[(1E)-4,4-Dimethyl-1,5-hexadienyl]pyridine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 187.136099551 u
Formula C13H17N
InChI InChI=1S/C13H17N/c1-4-13(2,3)10-7-9-12-8-5-6-11-14-12/h4-9,11H,1,10H2,2-3H3/b9-7+
InChIKey AQJJSTANEVMDAM-VQHVLOKHSA-N
Molecular Weight 187.286 g/mol
SMILES C1(\C=C\CC(C=C)(C)C)=NC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953476