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- W2045821608 abstract "Carbon-13 NMR studies were performed with a series of nineteen multicyclic lactams. The solution conformations of most of these were determined using the lanthanide induced shift (LIS) method in combination with x-ray and/or MINDO/3 optimized geometries. These analyses show that E-caprolactam and 3-azabicyclo[4.3.1]decan-4-one have at least two conformations in solution. The LIS structural analyses were further confirmed by means of 13C T1 relaxation times with Gd(dpm)3 and Gd(fod)3 as relaxation reagents. However, relaxation data for carbons in proximity to the complexation site are not reliable for this purpose, probably because of the occurrence of mechanisms other than dipole-dipole. It is also noted that it is better to compare carbons having the same number of bonded hydrogens. With the help of the LIS data it was possible to assign unambiguously the chemical shifts of the carbons in all of the lactams in this study." @default.
- W2045821608 created "2016-06-24" @default.
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- W2045821608 date "1987-05-01" @default.
- W2045821608 modified "2023-10-14" @default.
- W2045821608 title "Carbon-13 NMR studies of multicyclic lactams. Structures and13C assignments by lanthanide induced shifts, relaxation studies and MINDO/3 calculations" @default.
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- W2045821608 doi "https://doi.org/10.1002/mrc.1260250512" @default.
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