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. 2021 Aug 11;26(16):4846. doi: 10.3390/molecules26164846
ADEQ 1,1–ADEQUATE (“2JCH” equivalent)
CASE Computer-Assisted Structure Elucidation [60]
calc. calculated
COSY 1H,1H-Correlated Spectroscopy (2JHH and 3JHH)
error ≫ 10 ppm
DFT Density functional theory
DG Distance geometry
exp. experimental
HMBC 1H,13C-Heteronuclear Multiple Bond Correlation (2JCH and 3JCH)
4J-HMBC 1H,13C-Heteronuclear Multiple Bond Correlation (4JCH)
MD Molecular Dynamics
NHMBC 1H,15N-Heteronuclear Multiple Bond Correlation (2JNH and 3JNH)
NMR Nuclear Magnetic Ressonance
NOE Nuclear Overhauser Effect
sol. number of solutions
theo. theoretical