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2-(Pyridin-2-yl)cyclohex-1-enecarbonitrile

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2-(Pyridin-2-yl)cyclohex-1-enecarbonitrile
SpectraBase Compound ID 4ce9zPd7Avn
InChI InChI=1S/C12H12N2/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-14-12/h3-4,7-8H,1-2,5-6H2
InChIKey GUMCOZUDZMDJMN-UHFFFAOYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C12H12N2
Exact Mass 184.100048 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 22Btuc3iBmz
Name 2-(Pyridin-2-yl)cyclohex-1-enecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.100048394 u
Formula C12H12N2
InChI InChI=1S/C12H12N2/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-14-12/h3-4,7-8H,1-2,5-6H2
InChIKey GUMCOZUDZMDJMN-UHFFFAOYSA-N
Molecular Weight 184.242 g/mol
SMILES C1=C(N=CC=C1)C1=C(CCCC1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915002