# Summary of NMR spectra ( SCF GIAO Magnetic shielding) # Values for element C only # Reference: TMS mPW1PW91/6-31G(d,p) CDCl3 GIAO # Reference shielding: 196.591 ppm # Degenerate peaks are condensed together (Degeneracy Tolerance 0.05) # # Shift (ppm) Degeneracy Atoms 173.4567000000 1.0000 3 139.3991000000 1.0000 5 121.4923000000 1.0000 10 74.0636000000 1.0000 7 68.1295000000 1.0000 6 58.5108000000 1.0000 8 56.7936000000 1.0000 9 36.6366000000 1.0000 1 32.6325000000 1.0000 2 19.0486000000 1.0000 13