89-55-4

5-溴水楊酸(89-55-4)紅外圖譜(IR1)

產(chǎn)品名稱:5-溴水楊酸

CAS:89-55-4

分子式:C7H5BrO3

分子量: 217.02

InChI:InChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)

InChIKey: IEJOONSLOGAXNO-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC(Br)=CC=C1O

Mass

MS-NW-0358          
5-bromosalicylic acid
C7H5BrO3            (Mass of molecular ion:    216)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.2
      27.0       1.4
      28.0       1.1
      29.0       1.6
      31.0       1.2
      37.0       5.0
      38.0       6.1
      39.0       6.0
      45.0       4.6
      45.5       1.1
      46.0       1.8
      49.0       1.3
      50.0       3.0
      51.0       3.1
      52.0       1.1
      53.0       9.4
      54.0       1.4
      55.0       1.1
      59.5       1.5
      60.0       1.1
      61.0       6.0
      62.0      11.6
      63.0      43.6
      64.0       6.4
      65.0       1.2
      66.0       1.3
      68.5       1.9
      71.0       1.8
      72.0       1.9
      74.0       2.3
      75.0       1.7
      81.0       1.8
      85.0       6.6
      86.0       5.8
      90.0       1.2
      91.0       6.1
      92.0       2.4
      99.0       3.8
      99.5       1.2
     100.0       4.0
     100.5       1.2
     117.0       1.7
     119.0       4.5
     142.0       7.2
     143.0       3.4
     144.0       7.2
     145.0       3.1
     170.0      30.7
     171.0       3.2
     172.0      30.6
     173.0       3.2
     198.0     100.0
     199.0       9.8
     200.0      97.7
     201.0       8.4
     216.0      35.5
     217.0       2.8
     218.0      34.6
     219.0       2.9

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₇ H₅ Br O₃	0.044 g : 0.5 ml DMSO-d₆
5-bromosalicylic acid

    Assign.     Shift(ppm)

      A             7.875
      B             7.652
      C             6.956
      D             6.7
     
     D-PEAK INCLUDES H2O.

     Hz     ppm     Int.

    707.03   7.895    702
    706.64   7.891    688
    704.39   7.866   1000
    704.00   7.861    775
    702.25   7.842     50
    700.98   7.827     30
    699.41   7.810     27
    698.54   7.800     26
    691.60   7.723    662
    689.06   7.694    448
    686.33   7.664     27
    684.38   7.642     26
    682.81   7.625    817
    680.18   7.595    672
    678.03   7.571     30
    627.34   7.005    967
    626.95   7.001    829
    618.55   6.907    784
    618.16   6.903    749
    595.70   6.652     76

DMSO-d6