# 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 172.7851000000 1.0000 3 134.9531000000 1.0000 5 126.8637000000 1.0000 10 68.2702000000 1.0000 6 66.8864000000 1.0000 7 58.4069000000 1.0000 8 55.9298000000 1.0000 9 31.2448000000 1.0000 2 30.9763000000 1.0000 1 18.5598000000 1.0000 13