3337-62-0

3,5-二溴-4-羟基苯甲酸(3337-62-0)红外图谱(IR2)

产品名称:3,5-二溴-4-羟基苯甲酸

CAS:3337-62-0

分子式:C7H4Br2O3

分子量: 295.91

InChI:InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)

InChIKey: PHWAJJWKNLWZGJ-UHFFFAOYSA-N

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

Mass

MS-IW-0060          
3,5-dibromo-4-hydroxybenzoic acid
C7H4Br2O3           (Mass of molecular ion:    294)

   Source Temperature: 210 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.0
      37.0       1.4
      45.0       1.3
      51.0       2.6
      53.0       3.4
      61.0       4.3
      62.0       8.3
      63.0       6.3
      79.0       1.9
      80.0       1.0
      85.0       1.3
      86.0       1.1
      90.0       4.1
      91.0       3.0
     119.0       1.0
     133.0       2.3
     134.0       3.2
     135.0       1.7
     139.5       1.0
     141.0       1.8
     142.0       1.1
     143.0       2.2
     169.0       2.0
     170.0       4.4
     171.0       2.4
     172.0       4.3
     197.0       1.7
     199.0       1.8
     221.0       1.1
     223.0       2.1
     225.0       1.0
     249.0       3.4
     250.0       1.2
     251.0       6.7
     252.0       1.3
     253.0       3.3
     277.0      31.7
     278.0       2.8
     279.0      61.9
     280.0       5.0
     281.0      30.6
     282.0       2.3
     294.0      50.9
     295.0       4.5
     296.0     100.0
     297.0       8.1
     298.0      49.3
     299.0       3.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₄ Br₂ O₃	0.031 g : 0.5 ml DMSO-d₆
3,5-dibromo-4-hydroxybenzoic acid

    Assign.     Shift(ppm)

      A     *1     13.
      B     *1     11.
      C             8.029

     Hz     ppm     Int.

   3212.95   8.040     20
   3209.11   8.030   1000
   3205.26   8.021     22

in DMSO-d6

KBr disc

nujol mull

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