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3-氯-4羟基苯乙酸

产品名称 3-氯-4羟基苯乙酸

CAS号33697-81-3

分子式C8H7ClO3

分子量186.59

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  • Mass

    MS-IW-0850          
    3-chloro-4-hydroxyphenylacetic acid
    C8H7ClO3            (Mass of molecular ion:    186)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       2.2
          50.0       1.1
          51.0       8.1
          52.0       1.1
          53.0       1.2
          77.0      18.1
          78.0       2.1
         105.0       5.7
         107.0       2.5
         141.0     100.0
         142.0       8.1
         143.0      33.3
         144.0       2.6
         186.0      34.6
         187.0       3.2
         188.0      11.4
         189.0       1.0
    

400 MHz in CDCl3

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H7 Cl O3 saturated in CDCl3
    3-chloro-4-hydroxyphenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.26 B 7.088 C 6.976 D 7.0 E 3.563

         Hz     ppm     Int.
    

       2902.71   7.264    329
       2900.63   7.258    312
       2838.87   7.104    134
       2836.67   7.098    124
       2830.44   7.083    188
       2828.37   7.078    178
       2791.50   6.985    432
       2783.08   6.964    307
       1424.19   3.564   1000
    


  • 1H NMR 399.65 MHz
    C8 H7 Cl O3 0.040 g : 0.5 ml DMSO-d6
    3-chloro-4-hydroxyphenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 10. C 7.228 D 7.017 E 6.917 F 3.469

         Hz     ppm     Int.
    

       2890.00   7.232    385
       2887.99   7.227    386
       2810.51   7.033    170
       2808.31   7.027    158
       2802.26   7.012    238
       2800.07   7.007    228
       2772.04   6.937     22
       2768.01   6.927    475
       2763.80   6.916     29
       2759.59   6.906    336
       1386.57   3.470   1000
       1374.48   3.440     21
    

in CDCl3

in DMSO-d6





KBr disc



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