#rdkit symbol shift mult coup 40 H 2.30878316559927 s NA 41 H 2.30878316559927 s NA 39 H 2.30878316559927 s NA 42 H 6.06129917657822 d 2.0 43 H 5.04501372369625 s NA 44 H 5.9619396157365 d 2.0 45 H 10.6843549862763 s NA 36 H 1.6273863982921632 s NA 37 H 1.6273863982921632 s NA 38 H 1.6273863982921632 s NA 47 H 5.18709972552607 s NA 46 H 3.65288197621226 d 10.4 50 H 3.83311985361391 dd -9.4,8.6 49 H 4.74098810612992 dd -9.4,10.0 48 H 2.81628545288198 ddd 8.6,10.0,10.4 35 H 5.50530649588289 s NA 34 H 5.54007319304666 s NA 33 H 5.96029277218664 d 16.0 32 H 6.66367795059469 qd 7.0,16.0 29 H 1.9262885025922534 d 7.0 31 H 1.9262885025922534 d 7.0 30 H 1.9262885025922534 d 7.0