7640-33-7

7-溴-5-氯-8-羟基喹啉(7640-33-7)质谱(MS)

产品名称:7-溴-5-氯-8-羟基喹啉

CAS:7640-33-7

分子式:C9H5BrClNO

分子量: 258.5

InChI:InChI=1S/C9H5BrClNO/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13/h1-4,13H

InChIKey: ADJQQSUBKRASQN-UHFFFAOYSA-N

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

Mass

MS-NW-7058          
7-bromo-5-chloro-8-quinolinol
C9H5BrClNO          (Mass of molecular ion:    257)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       4.4
      28.0       1.6
      37.0       2.2
      38.0       2.4
      39.0       4.1
      43.0       2.7
      44.0       1.0
      49.0       1.3
      50.0       2.5
      51.0       1.7
      52.0       1.3
      53.0       1.7
      56.5       2.0
      57.0       2.6
      57.5       9.7
      58.0       1.2
      60.0       1.0
      61.0       5.8
      62.0       8.7
      63.0       7.7
      64.0       2.1
      72.0       1.3
      73.0       3.0
      74.0       2.7
      74.5       3.0
      75.0       9.4
      75.5       1.6
      76.0       3.7
      84.0       1.1
      85.0       2.3
      86.0       4.9
      87.0       9.6
      88.0       8.0
      89.0       2.3
      96.5       1.0
      97.0       3.2
      97.5       1.0
      98.0       2.0
      99.0       1.5
     114.0      14.9
     114.5       6.4
     115.0      16.4
     115.5       8.0
     116.0       2.0
     116.5       1.9
     122.0       1.3
     123.0       8.1
     124.0       1.9
     125.0       2.6
     128.5       2.2
     129.5       2.9
     149.0       5.8
     150.0      40.8
     151.0       6.0
     152.0      13.0
     153.0       1.4
     178.0       9.6
     179.0       2.1
     180.0       3.4
     194.0       1.3
     196.0       1.1
     228.0       1.9
     229.0      10.5
     230.0       3.3
     231.0      13.3
     232.0       1.9
     233.0       3.5
     257.0      77.0
     258.0       8.5
     259.0     100.0
     260.0      10.8
     261.0      24.5
     262.0       2.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₅ Br Cl N O	0.012 g : 0.5 ml CDCl₃
7-bromo-5-chloro-8-quinolinol

    Assign.     Shift(ppm)

      A             8.839
      B             8.494
      C             7.721
      D             7.585
      E             4.
     
     J(A,D)=4.3HZ. J(A,B)=1.4HZ. J(B,D)=8.6HZ.

     Hz     ppm     Int.

    794.53   8.872    212
    793.10   8.856    238
    790.36   8.825    238
    788.82   8.808    242
    766.17   8.555    243
    764.74   8.539    216
    762.76   8.517     40
    762.44   8.514     42
    761.89   8.508     36
    760.68   8.494     43
    760.24   8.489     39
    759.91   8.485     41
    757.60   8.460    301
    756.17   8.444    265
    754.41   8.424     46
    753.75   8.417     43
    752.32   8.401     33
    691.53   7.722   1000
    689.23   7.696     51
    688.90   7.693     51
    688.46   7.688     47
    687.69   7.679     45
    687.25   7.674     46
    685.16   7.651    273
    683.51   7.632     73
    680.87   7.603    265
    676.58   7.555    232
    674.83   7.535     64
    672.41   7.508    207

in CDCl3