2a,3,4,5-Tetrahydroacenaphthene(480-72-8) IR1
Product Name2a,3,4,5-Tetrahydroacenaphthene
CAS480-72-8
Molecular FormulaC12H14
Molecular Weight158.24
InChIInChI=1S/C12H14/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1,3,5,11H,2,4,6-8H2
InChIKey BDAGIAXQQBRORQ-UHFFFAOYSA-N
SmilesC1C2=C3C(=CC=C2)CCCC3C1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C12 H14 0.017 g : 0.5 ml CDCl3 1,2,2a,3,4,5-hexahydroacenaphthylene 
Assign. Shift(ppm)
A 7.06 B 7.04 C 6.905 D 2.87 E 2.84 F *1 2.80 G 2.75 J *1 2.65 K 2.300 L 2.126 M 2.047 N 1.763 P 1.533 Q 1.215 ASSIGNED BY H-H COSY
Hz ppm Int.2832.28 7.087 153 2831.42 7.085 153 2824.83 7.069 463 2824.10 7.067 438 2817.87 7.051 804 2817.14 7.050 1000 2814.82 7.044 558 2808.47 7.028 156 2807.86 7.026 145 2764.40 6.918 251 2763.43 6.915 326 2762.82 6.914 352 2756.96 6.899 245 2756.35 6.897 271 2755.86 6.896 296 1159.79 2.903 126 1159.30 2.901 120 1153.32 2.886 171 1148.07 2.873 198 1147.46 2.872 191 1146.00 2.868 161 1144.90 2.865 180 1144.41 2.864 175 1143.80 2.863 181 1141.97 2.858 197 1137.33 2.846 275 1132.08 2.833 216 1131.59 2.832 211 1126.71 2.820 147 1119.75 2.802 196 1113.28 2.786 202 1106.81 2.770 359 1098.75 2.750 365 1091.55 2.732 198 1083.37 2.711 188 1060.18 2.653 137 1059.45 2.651 141 931.88 2.332 163 931.15 2.330 176 925.42 2.316 316 924.68 2.314 317 920.29 2.303 192 919.56 2.301 240 918.33 2.298 167 913.70 2.287 349 913.09 2.285 359 907.23 2.271 170 906.62 2.269 169 858.64 2.149 129 858.03 2.147 133 855.10 2.140 147 850.46 2.129 160 846.19 2.118 149 843.02 2.110 156 842.16 2.108 131 838.62 2.099 115 828.74 2.074 112 826.42 2.068 142 824.83 2.064 132 823.73 2.062 103 822.27 2.058 104 819.58 2.051 152 817.87 2.047 141 816.65 2.044 115 815.06 2.040 135 813.84 2.037 105 812.87 2.034 169 811.16 2.030 161 810.06 2.027 116 808.84 2.024 126 714.60 1.789 123 711.67 1.781 126 708.01 1.772 125 704.96 1.764 126 702.88 1.759 120 699.83 1.752 129 696.17 1.742 108 693.12 1.735 107 634.03 1.587 132 625.98 1.567 149 622.44 1.558 342 614.38 1.538 372 610.84 1.529 338 602.78 1.509 346 599.12 1.500 131 591.19 1.480 116 505.37 1.265 113 502.56 1.258 113 493.29 1.235 168 492.19 1.232 147 490.72 1.228 174 489.50 1.225 128 481.69 1.206 133 480.22 1.202 173 478.76 1.198 156 477.66 1.196 157 468.51 1.173 101 465.82 1.166 102
in CDCl3
liquid film
