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• W1961488129 abstract "Long‐range coupling constants 5 J H ortho ,OMe were measured in series of methoxyindoles, methoxycoumarins, and methoxyflavones by the modified J doubling in the frequency domain method. The COSY and NOESY spectra revealed the coupling of the –OMe group with a specific proton at the ortho position and its preferred conformation. Homonuclear 1 H– 1 H couplings were confirmed by irradiation of the –OMe signal. Density functional theory calculations of 5 J H ortho ,OMe using the modified aug‐cc‐pVTZ basis set evidenced that the Fermi contact term shows good agreement with the experimental J values. Accurate chemical shift and coupling constant values followed after iterative quantum mechanical spectral analysis using the PERCH software. Copyright © 2014 John Wiley & Sons, Ltd." @default.
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• W1961488129 date "2014-07-15" @default.
• W1961488129 modified "2023-10-18" @default.
• W1961488129 title "Stereospecific ⁵ <i>J</i> _{H<i>ortho</i> ,OMe} couplings in methoxyindoles, methoxycoumarins, and methoxyflavones" @default.
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• W1961488129 doi "https://doi.org/10.1002/mrc.4103" @default.
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