#rdkit symbol shift mult coup 35 H 3.81838975297347 dt -11.4,6.2 37 H 2.2549252820982 s NA 39 H 2.2549252820982 s NA 38 H 2.2549252820982 s NA 51 H 2.0154620311070466 s NA 52 H 2.0154620311070466 s NA 53 H 2.0154620311070466 s NA 50 H 3.1975297346752 dd -11.4,5.8 49 H 4.51344922232388 dd -11.4,5.8 56 H 2.33934126258005 m -12.4,2.4,3.2,5.0 58 H 1.71436413540714 ddd 5.0,12.0,12.8 59 H 0.8457761512656273 s NA 60 H 0.8457761512656273 s NA 61 H 0.8457761512656273 s NA 57 H 0.942451967063127 m -12.4,3.4,12.8,13.0 54 H 0.918481244281791 m -12.4,3.2,3.4,3.6 55 H 1.95635864592863 m -12.4,2.4,12.6,13.0 48 H 1.78234217749314 m 3.6,5.6,5.8,10.8,12.6 46 H 1.75919487648673 ddd -12.4,5.6,8.0 47 H 0.689204025617566 dt -12.4,10.8 45 H 1.93083257090576 m 4.8,8.0,10.8,12.0 44 H 5.51720036596523 dd 4.8,8.8 43 H 5.47273559011894 dd 3.0,8.8 42 H 2.46422689844465 ddd 1.2,3.0,8.6 41 H 3.41646843549863 dd -6.4,1.2 40 H 4.00247026532479 dd -6.4,8.6 36 H 2.92113449222324 dt -11.4,6.2 33 H 1.43613906678865 dtt -12.4,6.2,6.6 34 H 1.37355901189387 dtt -12.4,6.2,6.6 31 H 1.76450137236962 dtq -12.4,6.6,7.0 32 H 1.10832570905764 dtq -12.4,6.6,7.0 29 H 0.9017383348581877 t 7.0 28 H 0.9017383348581877 t 7.0 30 H 0.9017383348581877 t 7.0