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

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

¹H NMR	89.56 MHz
C₉ H₈ N₂	0.043 g : 0.5 ml CDCl₃
5-aminoquinoline

    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