8,8,10,10-Tetrakis(p-bromophenylsulfonyloxymethyl)-8,9,10,11-tetrahydro-7H-cycloocta[de]naphthalene(59175-02-9) 13C NMR
Product Name8,8,10,10-Tetrakis(p-bromophenylsulfonyloxymethyl)-8,9,10,11-tetrahydro-7H-cycloocta[de]naphthalene
CAS59175-02-9
Molecular FormulaC43H36Br4O12S4
Molecular Weight1192.61
InChIInChI=1S/C43H36Br4O12S4/c44-33-7-15-37(16-8-33)60(48,49)56-26-42(27-57-61(50,51)38-17-9-34(45)10-18-38)23-31-5-1-3-30-4-2-6-32(41(30)31)24-43(25-42,28-58-62(52,53)39-19-11-35(46)12-20-39)29-59-63(54,55)40-21-13-36(47)14-22-40/h1-22H,23-29H2
InChIKey AIRMWCUDSAQZPI-UHFFFAOYSA-N
SmilesC1=C2C3C(CC(COS(C4=CC=C(Br)C=C4)(=O)=O)(COS(C4=CC=C(Br)C=C4)(=O)=O)CC(COS(C4=CC=C(Br)C=C4)(=O)=O)(COS(C4=CC=C(Br)C=C4)(=O)=O)CC=3C=C1)=CC=C2
400 MHz in CDCl3
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1H NMR 399.65 MHz C43 H36 Br4 O12 S4 4 wt% in CDCl3 8,8,10,10-tetrakis(p-bromophenylsulfonyloxymethyl)-8,9,10,11-tetrahydro-7H-cycloocta(de)naphthalene 
Assign. Shift(ppm)
A *1 7.822 B *2 7.78 C 7.75 D *1 7.675 E *2 7.621 F 7.192 G 6.922 J *3 4.210 K *3 4.099 L 3.719 M *3 3.493 N *3 3.347 P 2.848 Q 1.395 R 0.537 J(J,K)=10.0HZ. J(L,P)=15.1HZ. J(Q,R)=15.2HZ. J(M,N)=9.4HZ.
Hz ppm Int.3134.03 7.842 85 3132.08 7.838 429 3129.88 7.832 182 3128.17 7.828 78 3127.56 7.826 71 3125.37 7.821 252 3123.17 7.815 1000 3121.22 7.810 213 3118.90 7.805 62 3118.53 7.804 61 3116.94 7.800 58 3112.79 7.789 221 3110.84 7.784 983 3108.64 7.779 271 3106.45 7.773 102 3104.13 7.768 212 3101.93 7.762 535 3099.98 7.757 280 3096.68 7.749 71 3096.44 7.748 71 3095.58 7.746 76 3092.65 7.739 260 3091.67 7.736 232 3088.75 7.729 49 3088.38 7.728 47 3087.89 7.727 46 3087.16 7.725 41 3086.55 7.724 42 3085.94 7.722 41 3085.69 7.721 41 3084.84 7.719 42 3078.61 7.704 49 3077.76 7.702 55 3075.44 7.696 90 3073.36 7.691 466 3071.29 7.685 194 3069.21 7.680 89 3068.60 7.679 90 3068.36 7.678 90 3066.65 7.674 257 3064.45 7.668 951 3062.50 7.663 191 3060.06 7.657 53 3059.33 7.656 53 3058.72 7.654 50 3058.11 7.652 54 3057.62 7.651 52 3056.88 7.649 50 3056.52 7.648 49 3055.66 7.646 49 3054.81 7.644 46 3053.71 7.641 67 3052.98 7.640 64 3050.90 7.634 194 3048.83 7.629 929 3046.75 7.624 258 3042.11 7.612 185 3040.04 7.607 475 3037.96 7.602 74 2881.96 7.212 172 2877.08 7.200 43 2874.88 7.194 223 2873.78 7.191 207 2866.70 7.174 180 2770.26 6.932 189 2769.17 6.929 197 2766.72 6.923 47 2766.24 6.922 44 2765.63 6.921 47 2763.18 6.915 169 2762.08 6.912 166 1688.48 4.225 172 1678.47 4.200 243 1642.33 4.110 241 1639.04 4.102 41 1632.32 4.085 173 1494.38 3.740 133 1482.67 3.710 41 1479.25 3.702 142 1476.56 3.695 53 1401.25 3.507 194 1391.97 3.483 250 1341.80 3.358 241 1332.40 3.334 199 1145.51 2.867 145 1130.37 2.829 137 564.82 1.414 66 564.58 1.413 66 564.09 1.412 63 563.60 1.411 57 562.99 1.409 45 549.80 1.376 71 549.19 1.375 73 222.05 0.556 92 206.67 0.518 88
in CDCl3
