244-99-5

5H-茚并[1,2-B]吡啶(244-99-5)质谱(MS)

产品名称:5H-茚并[1,2-B]吡啶

CAS:244-99-5

分子式:C12H9N

分子量: 167.21

InChI:InChI=1S/C12H9N/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H,8H2

InChIKey: FWEHZHRUCQRSJP-UHFFFAOYSA-N

Smiles:C12C3=C(C=CC=C3)CC1=CC=CN=2

Mass

MS-NW-6269          
4-azafluorene
C12H9N              (Mass of molecular ion:    167)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      39.0       3.0
      50.0       1.4
      51.0       1.5
      62.0       1.7
      63.0       3.7
      69.0       1.5
      69.5       4.0
      70.0       1.8
      70.5       3.1
      74.0       1.2
      75.0       1.2
      82.5       2.8
      83.0       1.0
      83.5       7.7
      84.0       1.1
      86.0       1.2
      87.0       1.5
      88.0       1.3
      89.0       1.9
     113.0       2.6
     114.0       2.2
     115.0       1.2
     138.0       1.5
     139.0      14.4
     140.0      12.9
     141.0       1.9
     164.0       2.1
     165.0       1.6
     166.0      23.5
     167.0     100.0
     168.0      13.4
     169.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ N	19.6 mg : 0.5 ml CDCl₃
4-azafluorene

    Assign.     Shift(ppm)

      A             8.587
      B             8.110
      C             7.797
      D             7.566
      E             7.461
      F             7.417
      G             7.174
      J             3.857
     
     J(A,G)=5.0HZ. J(C,G)=7.6HZ. J(A,C)=1.6HZ. J(A,J)=0.7HZ.
     J(C,J)=0.9HZ.

     Hz     ppm     Int.

   3435.18   8.596    219
   3434.45   8.594    210
   3433.59   8.592    218
   3430.18   8.583    234
   3429.44   8.582    222
   3428.71   8.580    216
   3245.73   8.122    203
   3245.00   8.120    229
   3244.26   8.118    234
   3238.40   8.104    203
   3237.43   8.101    260
   3237.06   8.100    249
   3121.58   7.811    142
   3120.73   7.809    268
   3120.00   7.807    221
   3119.14   7.805    243
   3118.29   7.803    123
   3114.01   7.792    152
   3113.16   7.790    285
   3112.43   7.788    232
   3111.57   7.786    250
   3110.72   7.784    120
   3029.66   7.581     90
   3028.81   7.579    188
   3027.95   7.577    219
   3027.59   7.576    213
   3026.61   7.574    173
   3025.63   7.571     73
   3021.36   7.561    235
   3020.75   7.559    257
   3020.14   7.557    267
   3019.41   7.556    202
   3018.55   7.553     82
   2991.70   7.486     62
   2990.97   7.484    103
   2990.36   7.483     96
   2989.75   7.481    105
   2989.14   7.480     55
   2983.64   7.466    275
   2983.03   7.465    246
   2982.30   7.463    238
   2981.69   7.461    123
   2976.20   7.448    208
   2975.59   7.446    188
   2974.85   7.444    172
   2974.24   7.443     94
   2970.58   7.433    312
   2969.12   7.430    330
   2963.26   7.415    375
   2961.91   7.412    327
   2955.93   7.397    129
   2954.59   7.393    108
   2873.29   7.190    378
   2868.29   7.178    378
   2865.72   7.171    367
   2860.72   7.159    354
   1541.38   3.857   1000

in CDCl3