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Raman spectroscopic characterisations and analytical discrimination between caffeine and demethylated analogues of pharmaceutical relevance

Edwards, Howell G.M.
; 
Munshi, Tasnim
; 
Anstis, M.
Publication Date
2005
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Keywords
Raman spectroscopy, Caffeine, Theophylline, Theobromine, Xanthine alkaloids, Discrimination
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Abstract
The FT Raman spectrum of caffeine was analysed along with that of its demethylated analogues, theobromine and theophylline. The similar but not identical structures of these three compounds allowed a more detailed assignment of the Raman bands. Noticeable differences in the Raman spectra of these compounds were apparent and key marker bands have been identified for the spectroscopic identification of these three compounds.
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http://hdl.handle.net/10454/3624
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Citation
Edwards HGM, Munshi T and Anstis M (2005) Raman spectroscopic characterisations and analytical discrimination between caffeine and demethylated analogues of pharmaceutical relevance. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 61(7): 1453-1459.
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https://doi.org/10.1016/j.saa.2004.10.022
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