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611-34-7

5-氨基喹啉(611-34-7)核磁图(13CNMR)

产品名称:5-氨基喹啉

CAS:611-34-7

分子式:C9H8N2

分子量: 144.17

InChI:InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2

InChIKey: XMIAFAKRAAMSGX-UHFFFAOYSA-N

Smiles:N1C2C(=C(N)C=CC=2)C=CC=1

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    Mass

    MS-NW-6164          
    5-aminoquinoline
    C9H8N2              (Mass of molecular ion:    144)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       2.4
          38.0       1.5
          39.0       3.4
          41.0       1.1
          50.0       1.9
          51.0       2.2
          52.0       2.2
          58.5       2.7
          62.0       2.2
          63.0       4.6
          64.0       2.0
          65.0       1.6
          72.0       3.8
          74.0       1.2
          75.0       1.2
          76.0       1.6
          77.0       1.0
          78.0       1.5
          88.0       1.3
          89.0       8.6
          90.0       6.8
          91.0       1.7
         105.0       1.1
         115.0       1.5
         116.0       9.5
         117.0      18.1
         118.0       3.2
         142.0       2.3
         143.0       9.0
         144.0     100.0
         145.0      11.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H8 N2 0.043 g : 0.5 ml CDCl3
    5-aminoquinoline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.855 B 8.140 C 7.57 D 7.48 E 7.281 F 6.778 G 4.25 J(A,E)=4.2HZ J(A,B)=1.6HZ J(B,E)=8.6HZ J(F,D)=6.4HZ J(C,F)=2.2HZ J(B,C)=0.8HZ J(C,D)=8.4HZ

         Hz     ppm     Int.
    

        796.13   8.890    347
        794.50   8.872    388
        791.94   8.843    383
        790.31   8.825    410
        734.94   8.207    275
        734.13   8.198    233
        733.25   8.188    289
        732.69   8.181    220
        726.38   8.111    341
        725.81   8.105    292
        724.69   8.092    345
        724.19   8.087    267
        684.88   7.648     51
        684.38   7.642     40
        682.81   7.625    115
        682.06   7.616    111
        676.38   7.553    576
        675.38   7.542   1000
        674.38   7.530    528
        673.63   7.522    483
        669.00   7.470    826
        660.50   7.375    225
        658.13   7.349    563
        653.94   7.302    524
        649.56   7.253    465
        645.38   7.207    440
        611.13   6.824    470
        608.94   6.800    387
        604.75   6.753    384
        602.56   6.729    371
        380.63   4.251    286
    

in CDCl3

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KBr disc

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nujol mull

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