#rdkit symbol shift mult coup 46 H 0.7928331808478188 s NA 45 H 0.7928331808478188 s NA 47 H 0.7928331808478188 s NA 43 H 0.7928331808478188 s NA 44 H 0.7928331808478188 s NA 42 H 0.7928331808478188 s NA 48 H 1.9670173833485802 d -15.4 49 H 1.9670173833485802 d -15.4 40 H 1.1844007319304648 ddd -12.4,2.0,6.2 41 H 1.1844007319304648 ddd -12.4,5.4,14.2 39 H 1.61605672461116 ddd -15.4,2.0,5.4 38 H 1.61605672461116 ddd -15.4,6.2,14.2 37 H 7.435956084172 ddd 0.4,1.4,8.2 36 H 7.78865507776761 ddd 1.4,6.2,8.2 35 H 7.4103385178408 ddd 1.4,6.2,7.2 34 H 8.10832570905764 ddd 0.4,1.4,7.2 31 H 5.62982616651418 dd 1.4,8.8 32 H 7.5131747483989 dd 7.6,8.8 33 H 6.19551692589204 dd 1.4,7.6 29 H 4.861024702653245 d -14.4 30 H 4.861024702653245 d -14.4 26 H 1.8363830436108568 s NA 27 H 1.8363830436108568 s NA 28 H 1.8363830436108568 s NA