# Summary of NMR spectra ( SCF GIAO Magnetic shielding) # Values for element H only # Reference: TMS B3LYP/6-311+G(2d,p) GIAO # Reference shielding: 31.8821 ppm # Degenerate peaks are condensed together (Degeneracy Tolerance 0.05) # # Shift (ppm) Degeneracy Atoms 7.6270666667 3.0000 15,12,14 7.5574000000 1.0000 13 7.4432000000 1.0000 11 3.5505000000 1.0000 16 2.9238000000 1.0000 17 1.8141000000 1.0000 19 1.7232000000 1.0000 18 0.8528000000 1.0000 20