#rdkit symbol shift mult coup 46 H 1.76312900274474 d -15.4 47 H 2.44181152790485 d -15.4 48 H 0.7486123818237257 s NA 49 H 0.7486123818237257 s NA 50 H 0.7486123818237257 s NA 42 H 2.13119853613907 ddd -12.4,6.2,11.0 39 H 1.89149130832571 ddd -12.4,6.2,11.4 40 H 1.58408051235132 ddd -12.4,1.2,11.0 28 H 4.31189387008234 d 2.4 27 H 4.39670631290027 d 2.4 34 H 1.6352241537054 m -12.4,1.8,10.8,12.4 33 H 1.65251601097896 m -12.4,5.0,5.8,11.4 35 H 1.35434583714547 dd 5.0,12.4 32 H 1.92086001829826 m -12.4,1.8,2.6,6.8,11.4 31 H 1.26587374199451 m -12.4,5.8,7.0,10.8,11.8 30 H 2.29441903019213 ddd -15.4,2.6,7.0 29 H 2.1391582799634 ddd -15.4,6.8,11.8 36 H 1.0816407441293088 s NA 37 H 1.0816407441293088 s NA 38 H 1.0816407441293088 s NA 41 H 1.7007319304666 ddd -12.4,1.2,11.4 44 H 1.1598963098505635 s NA 43 H 1.1598963098505635 s NA 45 H 1.1598963098505635 s NA 54 H 5.65114364135407 s NA 51 H 4.177554132357423 s NA 53 H 4.177554132357423 s NA 52 H 4.177554132357423 s NA