# 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 167.0553000000 1.0000 3 135.1479000000 1.0000 5 119.2754000000 1.0000 10 72.8306000000 1.0000 6 67.0816000000 1.0000 7 57.9044000000 1.0000 8 56.2553000000 1.0000 9 34.6277000000 1.0000 1 33.7060000000 1.0000 2 18.8221000000 1.0000 13