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  • MN
  • Monday, Nov 25, 2024
Multiplet of the Week - The Answer

The answer to Andrii K.’s very nice ‘Multiplet of the week’ comes from CT in full automation: H4 couples to the two pro-chiral H3 and the methyl group with three rather different coupling constants. Thus the correct annotation would be ‘dqd’ rather than ‘dp’. The 4J-couplings into the aromatic ring are predicted and fitted by CT but not resolved in the spectrum even after applying Gaussian resolutions enhancement.