4-Bromo-2-fluorobenzoic acid(112704-79-7) ¹H NMR

Product Name4-Bromo-2-fluorobenzoic acid

CAS 112704-79-7

Molecular FormulaC7H4BrFO2

Molecular Weight219.01

InChIInChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

InChIKey ZQQSRVPOAHYHEL-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=C(Br)C=C1F

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4-Bromo-2-fluorobenzoic acid(112704-79-7) <sup>1</sup>H NMR
Mass

MS-KW-0077          
4-bromo-2-fluorobenzoic acid
C7H4BrFO2           (Mass of molecular ion:    218)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       1.1
      18.0       5.2
      28.0       1.6
      31.0       2.1
      37.0       3.2
      38.0       2.3
      39.0       1.3
      44.0       1.4
      45.0       3.9
      47.0       5.3
      49.0       1.5
      50.0      11.4
      51.0       3.7
      53.0       1.1
      56.0       1.3
      57.0       3.8
      61.0       9.4
      62.0       3.8
      63.0       4.6
      68.0      10.0
      69.0       2.6
      73.0       3.0
      74.0      13.1
      75.0      13.9
      76.0       1.0
      81.0       1.1
      82.0       1.3
      83.0       6.2
      86.0       1.0
      92.0       4.2
      93.0      10.8
      94.0      35.9
      95.0      14.4
      96.0       6.5
     100.5       3.5
     101.5       3.4
     121.0       1.2
     122.0       2.4
     154.0       1.2
     156.0       1.2
     172.0       1.3
     173.0      22.4
     174.0       2.6
     175.0      21.2
     176.0       1.9
     190.0       1.5
     192.0       1.4
     199.0       2.3
     200.0       3.1
     201.0      96.0
     202.0       9.9
     203.0      91.5
     204.0       7.1
     218.0     100.0
     219.0       8.0
     220.0      97.5
     221.0       7.6

400 MHz in DMSO-d6

4-Bromo-2-fluorobenzoic acid(112704-79-7) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₇ H₄ Br F O₂	0.039 g : 0.5 ml DMSO-d₆
4-bromo-2-fluorobenzoic acid

    Assign.     Shift(ppm)

      A            13.5
      B             7.832
      C             7.688
      D             7.547

     Hz     ppm     Int.

   3138.59   7.854    508
   3130.47   7.834   1000
   3122.14   7.813    582
   3083.89   7.717     26
   3078.76   7.704    611
   3077.05   7.700    623
   3068.29   7.678    607
   3066.58   7.674    636
   3062.52   7.664     26
   3021.07   7.560    583
   3019.14   7.555    576
   3012.73   7.539    503
   3010.81   7.534    517

in DMSO-d6