atom_id atom_symbol chemical_shift multiplet coupling_constant 1 C 39.89 3 C 138.77 4 C 122.14 5 C 119.86 6 C 123.07 7 C 130.33 8 C 104.06 9 C 146.98 10 C 147.51 11 C 100.08 12 C 126.41 14 C 101.03 16 C 124.82 17 C 115.97 18 C 108.05 19 C 146.65 20 C 144.43 21 C 114.73 22 C 77.35 25 C 101.36