230-27-3

7，8-苯并喹啉(230-27-3)核磁图(¹³CNMR)

产品名称:7，8-苯并喹啉

CAS:230-27-3

分子式:C13H9N

分子量: 179.22

InChI:InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H

InChIKey: WZJYKHNJTSNBHV-UHFFFAOYSA-N

Smiles:N1C2C(=CC=C3C=CC=CC3=2)C=CC=1

Mass

MS-NW-1980          
benzo(h)quinoline
C13H9N              (Mass of molecular ion:    179)

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

      50.0       1.3
      51.0       1.4
      62.0       1.0
      63.0       2.8
      74.0       1.4
      75.0       2.8
      75.5       1.4
      76.0       3.9
      76.5       1.0
      89.0       4.1
      89.5       5.4
     125.0       1.0
     126.0       2.1
     150.0       3.0
     151.0       6.0
     152.0       5.5
     153.0       3.9
     177.0       3.1
     178.0      17.5
     179.0     100.0
     180.0      14.5
     181.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₉ N	14.8 mg : 0.5 ml CDCl₃
benzo(h)quinoline

    Assign.     Shift(ppm)

      A             9.299
      B             9.003
      C             8.164
      D             7.907
      E     *1      7.806
      F     *2      7.744
      G     *2      7.70
      J     *1      7.675
      K             7.515
     
     J(B,K)=4.4HZ. J(B,C)=1.8HZ. J(C,K)=8.0HZ.
     J(E,J)=8.8HZ.

     Hz     ppm     Int.

   3721.56   9.313    308
   3720.70   9.310    319
   3720.09   9.309    296
   3714.36   9.295    187
   3713.50   9.292    323
   3712.65   9.290    345
   3711.91   9.288    320
   3601.44   9.012    413
   3599.73   9.008    427
   3597.05   9.001    435
   3595.34   8.997    435
   3267.70   8.177    451
   3265.87   8.172    454
   3259.64   8.157    480
   3257.93   8.152    483
   3164.79   7.919    330
   3164.18   7.918    309
   3163.70   7.917    304
   3157.23   7.900    441
   3155.76   7.897    410
   3125.00   7.820    495
   3116.21   7.798    686
   3104.13   7.768    185
   3102.66   7.764    213
   3097.17   7.750    400
   3095.83   7.747    402
   3094.60   7.744    229
   3089.23   7.730    431
   3087.65   7.726    375
   3084.72   7.719    465
   3083.01   7.715    524
   3077.64   7.701    312
   3076.90   7.699    420
   3075.44   7.696    439
   3070.92   7.685   1000
   3068.36   7.678    248
   3062.01   7.662    711
   3009.52   7.531    613
   3005.13   7.520    613
   3001.46   7.511    590
   2997.07   7.500    589

in CDCl3