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Dataset for: Selective Measurement of 1H-1H Scalar Couplings from Crowded Chemical Shift Regions: Combined Pure Shift and Spin-Echo Modulation approach

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posted on 2018-03-23, 16:31 authored by Veera Mohana Rao Kakita, Jerripothula K. Lakshmi, Sahithya Phani Babu Vemulapalli, Jagadeesh Bharatam
JHH scalar couplings carry rich structural information and their measurements are fundamental in the 1H NMR based elucidation of small and medium molecules, which, however are hampered in the presence of large J-coupling network. Further, enhanced spectral resolution is often essential for precise determination of a specific set of 1H-1H J-couplings amongst the complex J-multiplets. In the light of the recent advancements in homodecoupling pure shift strategies, here we report absorption mode, band-selective refocused pure shift spin-echo (BSR-PSSE) method, which helps in determining 1H-1H J-couplings from crowded spectral regions. The importance of the present BSR-PSSE experiment is exemplified for two steroid molecules, estradiol and testosterone.

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    Magnetic Resonance in Chemistry

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