948-65-2

2-苯基吲哚(948-65-2)質(zhì)譜(MS)

產(chǎn)品名稱:2-苯基吲哚

CAS:948-65-2

分子式:C14H11N

分子量: 193.24

InChI:InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H

InChIKey: KLLLJCACIRKBDT-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC=C2)C=C1C1=CC=CC=C1

Mass

MS-NW-4539          
2-phenylindole
C14H11N             (Mass of molecular ion:    193)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.3
      39.0       1.7
      50.0       1.0
      51.0       1.9
      62.0       1.1
      63.0       2.8
      64.0       1.0
      69.5       1.0
      70.5       1.2
      77.0       1.6
      82.0       1.4
      82.5       2.3
      83.5       3.7
      89.0       7.5
      90.0       8.5
      91.0       1.0
      95.5       4.1
      96.0       1.3
      96.5       8.4
      97.0       1.4
     115.0       1.4
     139.0       1.5
     163.0       1.5
     164.0       2.1
     165.0      15.4
     166.0       3.0
     167.0       1.1
     190.0       2.9
     191.0       4.3
     192.0       8.7
     193.0     100.0
     194.0      16.1
     195.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₁ N	16.4 mg : 0.5 ml CDCl₃
2-phenylindole

    Assign.     Shift(ppm)

      A             8.28
      B             7.63
      C             7.63
      D             7.424
      E             7.376
      F             7.314
      G             7.190
      J             7.126
      K             6.820
     
     J(K,A)=2.1HZ. J(K,E)=0.8HZ.

     Hz     ppm     Int.

   3307.50   8.276    121
   3067.14   7.675     33
   3066.89   7.674     33
   3066.53   7.674     33
   3065.55   7.671     34
   3065.19   7.670     34
   3064.82   7.669     35
   3064.09   7.667     35
   3063.23   7.665     35
   3061.77   7.662     40
   3056.40   7.648    699
   3055.05   7.645    885
   3053.10   7.640    628
   3048.83   7.629    536
   3047.97   7.627    957
   3046.75   7.624    919
   3045.78   7.622    576
   3045.04   7.620    562
   3039.06   7.605     30
   3036.87   7.599     30
   3036.50   7.598     32
   3035.89   7.597     33
   3035.52   7.596     32
   3035.16   7.595     33
   2979.13   7.455     46
   2978.52   7.453     46
   2976.32   7.448    169
   2975.34   7.445    421
   2974.73   7.444    535
   2972.90   7.439    237
   2971.31   7.435    100
   2967.41   7.426   1000
   2966.19   7.422    506
   2961.06   7.410    309
   2959.47   7.406    615
   2957.52   7.401    146
   2956.05   7.397     86
   2952.27   7.388    393
   2951.42   7.386    377
   2948.85   7.379     70
   2948.49   7.378     67
   2947.63   7.376     70
   2947.27   7.375     69
   2944.34   7.368    482
   2943.36   7.365    464
   2938.60   7.353     31
   2930.42   7.333    236
   2929.20   7.330    412
   2927.98   7.327    234
   2926.27   7.323     50
   2925.29   7.320     50
   2923.71   7.316    194
   2921.88   7.312    502
   2919.92   7.307    168
   2917.60   7.301     42
   2915.65   7.296    136
   2914.43   7.293    220
   2913.21   7.290    119
   2885.25   7.220     31
   2884.64   7.218     35
   2881.96   7.212    282
   2880.74   7.209    300
   2877.44   7.200     43
   2874.88   7.194    478
   2873.78   7.191    510
   2872.68   7.188    266
   2870.00   7.182     45
   2869.38   7.180     43
   2866.94   7.174    402
   2865.60   7.171    367
   2863.53   7.166     36
   2862.92   7.164     34
   2862.06   7.162     32
   2854.49   7.143    449
   2853.39   7.140    446
   2850.59   7.133     47
   2849.61   7.131     45
   2847.41   7.125    355
   2846.68   7.123    512
   2845.58   7.121    431
   2843.26   7.115     45
   2842.53   7.113     46
   2841.31   7.110     39
   2839.60   7.106    263
   2838.50   7.103    239
   2730.47   6.833     35
   2727.05   6.824    545
   2726.20   6.822    569
   2724.98   6.819    589
   2724.12   6.817    516

in CDCl3