1,2,3,4-Tetrahydrocarbazole(942-01-8) MS
Product Name1,2,3,4-Tetrahydrocarbazole
CAS942-01-8
Molecular FormulaC12H13N
Molecular Weight171.24
InChIInChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2
InChIKey XKLNOVWDVMWTOB-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C2=C1CCCC2
-
MassMS-NW-0108 1,2,3,4-tetrahydrocarbazole C12H13N (Mass of molecular ion: 171)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.9 39.0 1.3 51.0 1.5 58.5 1.7 63.0 1.6 65.0 1.3 70.5 1.2 71.5 2.4 75.0 1.0 76.0 1.0 77.0 3.2 77.5 1.6 83.5 3.0 84.5 1.4 85.5 3.4 89.0 1.4 102.0 1.8 115.0 6.7 116.0 2.2 117.0 1.3 127.0 1.2 128.0 3.4 129.0 1.0 130.0 2.7 140.0 1.6 141.0 1.3 142.0 4.3 143.0 100.0 144.0 11.5 154.0 3.0 155.0 1.7 166.0 1.4 167.0 5.5 168.0 8.0 169.0 2.2 170.0 23.9 171.0 79.0 172.0 10.3
400 MHz in CDCl3
-
1H NMR 399.65 MHz C12 H13 N 16.9 mg : 0.5 ml CDCl3 1,2,3,4-tetrahydrocarbazole 
Assign. Shift(ppm)
A 7.57 B 7.453 C 7.239 D 7.11 E 7.06 F 2.70 G 1.88
Hz ppm Int.3035.52 7.596 36 3035.03 7.595 37 3034.67 7.594 40 3033.94 7.592 45 3033.45 7.591 46 3032.47 7.588 51 3031.98 7.587 54 3031.49 7.586 57 3029.17 7.580 77 3028.44 7.578 84 3027.59 7.576 87 3026.61 7.574 92 3026.12 7.572 90 3025.63 7.571 93 3024.54 7.568 90 3024.17 7.568 89 3023.56 7.566 87 3022.71 7.564 80 3021.12 7.560 70 3020.02 7.557 63 3018.07 7.552 52 3017.70 7.551 49 3016.48 7.548 41 3015.01 7.545 37 2983.40 7.466 273 2982.79 7.464 282 2982.06 7.462 233 2979.49 7.456 44 2978.76 7.454 39 2978.27 7.453 40 2975.95 7.447 298 2975.34 7.445 298 2974.49 7.443 307 2971.80 7.437 38 2898.44 7.253 278 2897.71 7.251 296 2896.85 7.249 357 2890.87 7.234 325 2889.77 7.231 449 2889.28 7.230 429 2888.55 7.228 365 2885.74 7.221 47 2847.78 7.126 159 2846.44 7.123 189 2840.70 7.108 406 2839.23 7.105 367 2835.45 7.095 43 2833.25 7.090 382 2831.67 7.086 712 2830.08 7.082 563 2826.54 7.073 48 2824.10 7.067 438 2822.88 7.064 491 2820.80 7.059 43 2817.02 7.049 211 2815.67 7.046 186 1088.75 2.725 40 1086.55 2.719 141 1084.96 2.715 375 1084.23 2.713 346 1082.52 2.709 392 1080.44 2.704 482 1078.00 2.698 1000 1075.44 2.691 496 1074.34 2.689 467 1073.12 2.686 441 1072.02 2.683 400 1070.80 2.680 380 1069.09 2.676 170 1066.65 2.669 53 1065.43 2.666 42 772.71 1.934 77 770.39 1.928 89 767.70 1.921 126 766.48 1.918 189 764.16 1.913 251 762.45 1.908 197 760.50 1.903 262 757.93 1.897 304 756.59 1.894 340 755.25 1.890 337 753.42 1.886 353 751.71 1.881 320 750.24 1.878 352 749.15 1.875 328 748.54 1.873 335 747.19 1.870 341 745.97 1.867 328 743.41 1.861 286 742.19 1.858 222 739.62 1.851 256 737.30 1.845 196 734.01 1.837 96 733.52 1.836 96 731.20 1.830 83 730.22 1.828 56
in CDCl3
KBr disc
