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Correlations Between Vibrational Data and/or NMR Data with Chemical Structure: The Nitrile Group

Volume 41, Number 5 (July 1987) Page 904-906

Nyquist, R.A.


Correlations have recently been developed between the IR and carbon-13 NMR data for carbonyl-containing compounds. Infrared, Raman, and carbon-13 NMR data are useful in the identification of organonitriles. The present study of organonitriles is an attempt to develop correlations between the C ≡ N stretching vibration (νC ≡ N) and the carbon-13 chemical shift for the CN group δ(13C ≡ N) in organonitriles.