#rdkit symbol shift mult coup 71 H 2.0800853918877666 s NA 70 H 2.0800853918877666 s NA 72 H 2.0800853918877666 s NA 67 H 2.081000304971027 s NA 68 H 2.081000304971027 s NA 69 H 2.081000304971027 s NA 66 H 4.12799634034766 s NA 65 H 5.99588289112534 s NA 62 H 1.71646843549863 ddd -12.4,2.8,4.0 61 H 1.80512351326624 ddd -12.4,5.4,13.2 63 H 2.50054894784995 ddd -15.4,4.0,13.2 64 H 2.7644098810613 ddd -15.4,2.8,5.4 58 H 1.2411710887465668 s NA 59 H 1.2411710887465668 s NA 60 H 1.2411710887465668 s NA 57 H 1.91710887465691 dt -12.4,7.0 56 H 1.33796889295517 dt -12.4,7.0 54 H 2.07209515096066 dq -13.4,7.0 55 H 2.0516010978957 dq -13.4,7.0 53 H 4.65205855443733 t 7.0 43 H 1.0480634339737716 s NA 42 H 1.0480634339737716 s NA 44 H 1.0480634339737716 s NA 32 H 1.62067703568161 s NA 33 H 1.62067703568161 s NA 31 H 1.62067703568161 s NA 35 H 1.7626715462031068 s NA 34 H 1.7626715462031068 s NA 36 H 1.7626715462031068 s NA 37 H 4.77557182067704 t 7.0 39 H 0.372644098810612 dq -13.4,7.0 38 H 1.59176578225069 dq -13.4,7.0 40 H 1.72607502287283 dt -13.4,7.0 41 H 1.40969807868252 dt -13.4,7.0 45 H 4.86075022872827 t 7.0 46 H 1.90091491308326 dq -13.4,7.0 47 H 1.95855443732845 dq -13.4,7.0 48 H 2.11930466605672 dt -13.4,7.0 49 H 1.58087831655993 dt -13.4,7.0 51 H 1.62323879231473 s NA 50 H 1.62323879231473 s NA 52 H 1.62323879231473 s NA