942-01-8

1,2,3,4-四氫咔唑(942-01-8)核磁圖(¹HNMR)

產(chǎn)品名稱:1,2,3,4-四氫咔唑

CAS:942-01-8

分子式:C12H13N

分子量: 171.24

InChI:InChI=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

Smiles:N1C2=C(C=CC=C2)C2=C1CCCC2

Mass

MS-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