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59748-90-2

4-溴-2-氯苯甲酸(59748-90-2)红外图谱(IR1)

产品名称:4-溴-2-氯苯甲酸

CAS:59748-90-2

分子式:C7H4BrClO2

分子量: 235.46

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

InChIKey: JAVZWSOFJKYSDY-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C(Br)C=C1Cl

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    Mass

    MS-NW-7385          
    4-bromo-2-chlorobenzoic acid
    C7H4BrClO2          (Mass of molecular ion:    234)
    

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

          37.0       5.3
          38.0       2.9
          39.0       1.1
          45.0       3.8
          49.0       3.3
          50.0      10.1
          51.0       2.7
          53.0       2.7
          55.0       3.5
          56.0       1.2
          61.0       2.2
          62.0       1.9
          63.0       7.3
          64.0       2.1
          69.0       2.0
          72.0       1.7
          73.0       8.8
          74.0      29.6
          75.0      34.4
          76.0       3.3
          77.0       1.0
          84.0       5.0
          85.0       2.0
          86.0       1.9
          91.0       2.8
          92.0       1.2
          99.0       5.0
         101.0       2.2
         103.0       4.0
         104.0       5.3
         105.0       1.3
         108.0       1.2
         108.5       1.4
         109.0       6.8
         109.5       1.8
         110.0      14.2
         111.0       6.8
         112.0       5.2
         113.0       1.5
         143.0       1.4
         145.0       1.2
         153.0       2.0
         154.0       3.2
         155.0       2.4
         156.0       3.0
         189.0      17.0
         190.0       2.0
         191.0      21.8
         192.0       1.8
         193.0       5.2
         206.0       2.7
         208.0       3.6
         217.0      67.9
         218.0       5.7
         219.0      88.1
         220.0       7.2
         221.0      21.8
         222.0       1.7
         234.0      78.2
         235.0       6.2
         236.0     100.0
         237.0       8.1
         238.0      24.9
         239.0       2.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H4 Br Cl O2 0.036 g : 0.5 ml DMSO-d6
    4-bromo-2-chlorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.851 B 7.763 C 7.668

         Hz     ppm     Int.
    

       3138.43   7.853    925
       3136.60   7.849    912
       3107.42   7.776    668
       3099.12   7.755   1000
       3069.09   7.680    646
       3067.14   7.675    587
       3063.35   7.666     26
       3060.79   7.659    432
       3058.84   7.654    427
    

in CDCl3

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KBr disc

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nujol mull

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