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N-Allyl-4-(cyanomethylene)quinoline

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

N-Allyl-4-(cyanomethylene)quinoline
SpectraBase Compound ID Lm8VkpB39Pe
InChI InChI=1S/C14H12N2/c1-2-10-16-11-8-12(7-9-15)13-5-3-4-6-14(13)16/h2-8,11H,1,10H2/b12-7+
InChIKey JRLOHZFHRMTUCZ-KPKJPENVSA-N
Mol Weight 208.26 g/mol
Molecular Formula C14H12N2
Exact Mass 208.100048 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H8LvM9oJSyr
Name N-Allyl-4-(cyanomethylene)quinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.100048394 u
Formula C14H12N2
InChI InChI=1S/C14H12N2/c1-2-10-16-11-8-12(7-9-15)13-5-3-4-6-14(13)16/h2-8,11H,1,10H2/b12-7+
InChIKey JRLOHZFHRMTUCZ-KPKJPENVSA-N
Molecular Weight 208.264 g/mol
SMILES C1=2N(C=C\C(C2C=CC=C1)=C\C#N)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867997