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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

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    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

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

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KBr disc

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nujol mull

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