# 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 207.3895000000 1.0000 13 168.3550000000 1.0000 10 136.3038000000 1.0000 7 134.4934000000 1.0000 8 128.2049000000 1.0000 4 126.4475000000 1.0000 11 125.7481000000 1.0000 3 125.6118000000 1.0000 5 123.6000000000 1.0000 1 123.3007000000 1.0000 2 122.6662000000 1.0000 6 120.4118000000 1.0000 12 72.4893000000 1.0000 9 60.7408000000 1.0000 21 56.5952000000 1.0000 20 46.4547000000 1.0000 14 34.4070000000 1.0000 31 34.3343000000 1.0000 17 34.0681000000 1.0000 27 33.1270000000 1.0000 26 32.9030000000 1.0000 22 28.4400000000 1.0000 23 27.9621000000 1.0000 28 27.3280500000 2.0000 25,30 26.6455000000 1.0000 24 25.9670000000 1.0000 29