148-24-3

8-羥基喹啉(148-24-3)紅外圖譜(IR1)

產品名稱:8-羥基喹啉

CAS:148-24-3

分子式:C9H7NO

分子量: 145.16

InChI:InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H

InChIKey: MCJGNVYPOGVAJF-UHFFFAOYSA-N

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

Mass

MS-NW-1467          
8-quinolinol
C9H7NO              (Mass of molecular ion:    145)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      28.0       1.4
      37.0       1.4
      38.0       2.6
      39.0       6.2
      50.0       2.9
      51.0       3.2
      52.0       1.5
      57.5       1.3
      58.0       1.3
      58.5       9.8
      61.0       1.7
      62.0       4.5
      63.0      10.9
      64.0       4.2
      65.0       1.2
      72.5       1.5
      74.0       1.3
      75.0       1.4
      76.0       1.2
      78.0       1.0
      87.0       1.2
      88.0       1.7
      89.0      17.2
      90.0      18.1
      91.0       2.2
     116.0       7.9
     117.0      50.8
     118.0       4.8
     144.0       1.6
     145.0     100.0
     146.0      10.2

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₇ N O	16.9 mg : 0.5 ml CDCl₃
8-quinolinol

    Assign.     Shift(ppm)

      A             8.783
      B             8.3
      C             8.148
      D             7.453
      E             7.426
      F             7.330
      G             7.191
     
     J(A,E)=4.1Hz. J(C,E)=8.3Hz. J(D,F)=8.3Hz. J(F,G)=1.2Hz.
     J(D,G)=7.6Hz. J(A,C)=1.6Hz.

     Hz     ppm     Int.

   3513.18   8.791    573
   3511.72   8.787    605
   3509.03   8.781    626
   3507.45   8.777    623
   3261.60   8.162    667
   3259.89   8.157    671
   3253.17   8.141    722
   3251.59   8.137    713
   3249.51   8.131     72
   2987.67   7.476    596
   2979.98   7.457    882
   2979.37   7.455    910
   2976.56   7.448     83
   2974.00   7.442    801
   2971.80   7.437   1000
   2969.85   7.432    810
   2965.70   7.421    755
   2961.55   7.411    729
   2957.15   7.400     45
   2955.81   7.396     44
   2933.84   7.342    810
   2932.62   7.338    859
   2929.32   7.330     68
   2928.22   7.327     59
   2925.54   7.321    628
   2924.32   7.318    610
   2877.93   7.202    879
   2876.71   7.199    848
   2874.51   7.193     82
   2873.29   7.190     66
   2872.92   7.189     66
   2872.56   7.188     64
   2870.36   7.183    785
   2869.14   7.180    754
   2864.99   7.169     48

¹H NMR	89.56 MHz
C₉ H₇ N O	0.042 g : 0.5 ml CDCl₃
8-quinolinol

    Assign.     Shift(ppm)

      A             8.761
      B             8.34
      C             8.103
      D             7.44
      E             7.38
      F             7.29
      G             7.18
     
     J(A,E)=4.2HZ. J(A,C)=1.6HZ. J(C,E)=8.3HZ. J(F,G)=2.0HZ.
     J(D,G)=7.1HZ.
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    787.69   8.796    350
    786.06   8.777    379
    783.50   8.749    381
    781.81   8.730    413
    747.19   8.343    132
    731.19   8.165    383
    729.56   8.147    378
    722.88   8.072    490
    721.25   8.054    474
    674.88   7.536    172
    668.00   7.459    240
    666.88   7.447    852
    662.75   7.401    490
    661.38   7.385     53
    659.81   7.368   1000
    658.63   7.355    481
    657.38   7.341    507
    655.38   7.318    927
    654.44   7.308    486
    652.50   7.286     68
    649.19   7.249    275
    647.19   7.227    811
    645.19   7.204    467
    643.56   7.186     48
    640.13   7.148    331
    638.13   7.126    308

in CDCl3