#rdkit symbol shift mult coup 41 H 9.53339432753888 s NA 55 H 2.36770356816102 s NA 54 H 6.39908508691674 d 4.4 53 H 2.2775846294602 d 4.4 50 H 1.1974687404696565 s NA 51 H 1.1974687404696565 s NA 52 H 1.1974687404696565 s NA 31 H 5.05397987191217 d 2.4 30 H 4.89121683440073 d 2.4 34 H 2.09569990850869 s NA 33 H 2.09569990850869 s NA 35 H 2.09569990850869 s NA 32 H 6.33540713632205 s NA 39 H 2.73430924062214 dd -15.4,1.2 40 H 1.9939615736505 dd -15.4,8.4 38 H 3.04336688014639 m 1.2,1.4,4.2,8.4 36 H 2.23174748398902 dd -12.4,1.4 37 H 2.41582799634035 dd -12.4,4.2 42 H 4.4612076852699 dd 1.4,10.8 44 H 1.8747483989021 dtd -12.4,1.4,4.8 43 H 1.87749313815188 m -12.4,2.2,10.8,12.8 46 H 1.43220494053065 ddd -12.4,2.2,4.8 45 H 1.39972552607502 ddd -12.4,1.4,12.8 47 H 1.224611161939613 s NA 48 H 1.224611161939613 s NA 49 H 1.224611161939613 s NA