21739-93-5

2-Bromo-5-chlorobenzoic acid(21739-93-5) ¹H NMR

Product Name2-Bromo-5-chlorobenzoic acid

CAS 21739-93-5

Molecular FormulaC7H4BrClO2

Molecular Weight235.46

InChIInChI=1S/C7H4BrClO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)

InChIKey RBCPJQQJBAQSOU-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC(Cl)=CC=C1Br

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¹HNMR

IR1

IR2

2-Bromo-5-chlorobenzoic acid(21739-93-5) <sup>1</sup>H NMR
Mass

MS-NW-7339          
2-bromo-5-chlorobenzoic acid
C7H4BrClO2          (Mass of molecular ion:    234)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      37.0       4.0
      38.0       2.3
      39.0       1.0
      44.0       1.6
      45.0       3.8
      49.0       2.8
      50.0       9.4
      51.0       2.4
      53.0       1.7
      55.0       4.1
      56.0       1.3
      60.0       1.1
      61.0       2.3
      62.0       1.8
      63.0       5.5
      64.0       1.2
      72.0       1.2
      73.0       8.6
      74.0      23.8
      75.0      28.3
      76.0       3.4
      76.5       1.1
      77.0       1.5
      77.5       3.4
      78.5       1.1
      79.0       1.1
      80.0       1.1
      82.0       1.1
      84.0       3.6
      85.0       2.0
      86.0       1.6
      91.0       1.0
      92.0       1.3
      94.5       1.6
      95.5       2.1
      98.0       1.0
      99.0       6.9
     101.0       2.9
     108.0       1.0
     108.5       1.7
     109.0       6.2
     109.5       2.4
     110.0      20.3
     111.0      11.5
     112.0       6.9
     113.0       3.5
     117.0       1.2
     118.0       1.1
     127.0       1.8
     128.0       1.2
     139.0       3.3
     141.0       1.2
     145.0       2.2
     147.0       1.2
     153.0       1.9
     155.0       3.9
     156.0       3.7
     157.0       1.4
     158.0       1.1
     173.0       4.4
     175.0       3.0
     189.0      18.4
     190.0       7.2
     191.0      24.2
     192.0       5.4
     193.0       6.3
     194.0       1.2
     206.0       1.5
     208.0       1.8
     217.0      55.6
     218.0       4.7
     219.0      71.7
     220.0       6.0
     221.0      18.1
     222.0       1.7
     234.0      76.7
     235.0       6.5
     236.0     100.0
     237.0       8.5
     238.0      25.0
     239.0       2.3

400MHZ in DMSO-d6