# 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 188.1796335358 1.0000 6 173.6666309665 1.0000 8 169.5242573187 1.0000 4 138.0177362227 1.0000 12 136.9888730781 1.0000 13 128.6715643864 1.0000 14 127.5354619788 1.0000 23 125.1835838190 1.0000 22 124.9751677290 1.0000 15 124.2503304629 3.0000 19,21,17 123.9992827234 1.0000 20 123.6902156102 1.0000 16 122.8876587331 1.0000 18 119.1241862496 1.0000 5 64.6104168542 1.0000 9 38.5585704122 1.0000 1 25.5193572508 1.0000 3 23.8261894469 1.0000 2