#rdkit symbol shift mult coup 41 H 1.634827691369322 s NA 42 H 1.634827691369322 s NA 43 H 1.634827691369322 s NA 54 H 1.5575480329368707 s NA 53 H 1.5575480329368707 s NA 55 H 1.5575480329368707 s NA 50 H 1.4028057334553201 s NA 52 H 1.4028057334553201 s NA 51 H 1.4028057334553201 s NA 56 H 7.08938700823422 s NA 48 H 1.83467520585544 ddd -12.4,2.4,11.6 49 H 1.5124428179323 ddd -12.4,3.6,11.4 46 H 1.67493138151876 m -12.4,2.4,7.4,11.4,12.2 47 H 1.43705397987191 m -12.4,2.0,3.6,6.8,11.6 44 H 2.58819762122598 ddd -12.4,2.0,7.4 45 H 1.97886550777676 ddd -12.4,6.8,12.2 40 H 12.3242451967063 s NA 37 H 1.3519670631290024 d 6.6 38 H 1.3519670631290024 d 6.6 39 H 1.3519670631290024 d 6.6 35 H 1.350503202195789 d 6.6 36 H 1.350503202195789 d 6.6 34 H 1.350503202195789 d 6.6 33 H 3.72753888380604 h 6.6 32 H 7.31198536139067 s NA 29 H 2.4157060079292467 s NA 31 H 2.4157060079292467 s NA 30 H 2.4157060079292467 s NA