8,8,10,10-Tetrakis(p-tolylsulfonyloxymethyl)-8,9,10,11-tetrahydro-7H-cycloocta[de]naphthalene(59174-99-1) 1H NMR
Product Name8,8,10,10-Tetrakis(p-tolylsulfonyloxymethyl)-8,9,10,11-tetrahydro-7H-cycloocta[de]naphthalene
CAS59174-99-1
Molecular FormulaC47H48O12S4
Molecular Weight933.14
InChIInChI=1S/C47H52O16S4/c1-30-11-15-41(64(52,53)54)37(19-30)46(26-48,27-49,38-20-31(2)12-16-42(38)65(55,56)57)23-35-9-5-7-34-8-6-10-36(45(34)35)24-47(25-46,28-50,29-51,39-21-32(3)13-17-43(39)66(58,59)60)40-22-33(4)14-18-44(40)67(61,62)63/h5-22,48-51H,23-29H2,1-4H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)
InChIKey RAGBIUZZAUYKTC-UHFFFAOYSA-N
SmilesC1=C2C3C(CC(C4=CC(C)=CC=C4S(O)(=O)=O)(C4=CC(C)=CC=C4S(O)(=O)=O)(CO)(CO)CC(C4=CC(C)=CC=C4S(O)(=O)=O)(C4=CC(C)=CC=C4S(O)(=O)=O)(CO)(CO)CC=3C=C1)=CC=C2
400 MHz in CDCl3
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1H NMR 399.65 MHz C47 H48 O12 S4 5 wt% in CDCl3 8,8,10,10-tetrakis(p-tolylsulfonyloxymethyl)-8,9,10,11-tetrahydro-7H-cycloocta(de)naphthalene 
Assign. Shift(ppm)
A *1 7.847 B 7.723 C *1 7.589 D *2 7.421 E *2 7.27 F 7.188 G 6.961 J *3 4.153 K *3 4.000 L 3.635 M *3 3.444 N *3 3.196 P 2.828 Q *4 2.485 R *4 2.447 S 1.253 T 0.314 J(J,K)=10.0HZ. J(L,P)=15.1HZ. J(M,N)=9.4HZ. J(S,T)=15.5HZ.
Hz ppm Int.3142.21 7.863 63 3140.26 7.858 365 3138.55 7.854 125 3135.74 7.847 32 3133.67 7.842 128 3131.96 7.837 405 3130.00 7.832 63 3091.31 7.736 115 3090.09 7.732 127 3082.89 7.714 132 3081.79 7.712 125 3039.18 7.605 62 3037.23 7.600 352 3035.52 7.596 123 3030.64 7.584 128 3028.93 7.579 407 3026.98 7.575 65 2969.73 7.431 266 2969.12 7.430 307 2961.18 7.410 278 2960.45 7.408 240 2910.89 7.284 267 2910.16 7.282 307 2880.37 7.208 115 2873.29 7.190 148 2872.19 7.187 134 2865.11 7.170 125 2785.77 6.971 123 2784.55 6.968 129 2778.56 6.953 108 2777.47 6.950 106 1665.53 4.168 124 1655.52 4.143 159 1603.15 4.012 159 1593.14 3.987 123 1460.57 3.655 85 1445.43 3.617 89 1381.47 3.457 140 1372.07 3.434 161 1281.62 3.207 155 1272.34 3.184 137 1137.57 2.847 92 1122.31 2.809 84 1000.73 2.505 30 993.41 2.486 1000 987.30 2.471 36 986.94 2.470 35 986.21 2.468 36 978.39 2.449 986 508.67 1.273 41 493.41 1.235 44 493.04 1.234 44 133.30 0.334 60 117.80 0.295 58
in CDCl3
