Abstract
NIR-FT Raman and FT-IR spectra of columbianadin, extracted from seeds and roots of Heracleum candolleaum, were recorded and analyzed. The vibrational frequencies of the compound have been computed using semi-empirical AM1 method and compared with experimental values. The CO stretching frequencies of the carbonyl groups have been lowered due to conjugation. The CH stretching and bending vibrations of CH 3 groups of the ester part indicate the presence of hyperconjugation effect. Characteristic ring vibrations have also been identified.
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