کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1236804 968876 2006 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Analysis of a cycloheptenone derivative: An experimental and theoretical approach
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Analysis of a cycloheptenone derivative: An experimental and theoretical approach
چکیده انگلیسی

A detailed analysis with total assignment of 1H and 13C NMR spectral data for a cycloheptenone derivative, a key intermediate for the synthesis of perhydroazulene terpenoids, is related. These assignments are based on 1D 1H and 13C NMR and on 2D NMR techniques including gCOSY, gHSQC, gHMBC, J-resolved and NOEDIF experiments. The unequivocal assignments were supported by theoretical chemical shifts and scalar coupling constant calculations at GIAO B3LYP/cc-pVDZ level from optimized structures at the same level of theory.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 63, Issue 3, March 2006, Pages 709–713
نویسندگان
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