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7138-34-3

4-氯扁桃酸(7138-34-3)紅外圖譜(IR1)

產(chǎn)品名稱:4-氯扁桃酸

CAS:7138-34-3

分子式:C8H7ClO3

分子量: 186.59

InChI:InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)

InChIKey: BWSFWXSSALIZAU-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-2235          
DL-p-chloro-alpha-hydroxyphenylacetic acid
C8H7ClO3            (Mass of molecular ion:    186)


       Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV


          18.0       2.1
      27.0       1.1
      29.0       4.2
      38.0       1.4
      39.0       1.7
      45.0       1.8
      50.0       4.9
      51.0       9.4
      52.0       1.7
      62.0       1.2
      63.0       1.6
      73.0       1.2
      74.0       2.2
      75.0       5.8
      76.0       1.5
      77.0      71.2
      78.0       7.8
      89.0       2.7
     105.0       2.0
     106.0       1.2
     111.0       4.6
     113.0      14.5
     114.0       1.2
     115.0       4.2
     124.0       2.6
     139.0       3.7
     140.0       1.0
     141.0     100.0
     142.0       8.5
     143.0      31.0
     144.0       2.6
     186.0      13.9
     187.0       1.2
     188.0       4.6

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C8 H7 Cl O3 0.039 g : 0.5 ml DMSO-d6
    DL-p-chloro-alpha-hydroxyphenylacetic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.449
      B             7.420
      C             5.065
  

         Hz     ppm     Int.


       2983.28   7.465    263
   2981.45   7.461    129
   2976.93   7.449    194
   2974.73   7.444    891
   2969.24   7.430    239
   2967.53   7.426   1000
   2965.21   7.420    236
   2960.94   7.409    138
   2958.62   7.404    305
   2024.54   5.066    669

KBr disc

  • 圖譜

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