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539-03-7

对氯乙酰苯胺(539-03-7)红外图谱(IR1)

产品名称:对氯乙酰苯胺

CAS:539-03-7

分子式:C8H8ClNO

分子量: 169.61

InChI:InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

InChIKey: GGUOCFNAWIODMF-UHFFFAOYSA-N

Smiles:C(NC1=CC=C(Cl)C=C1)(=O)C

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    Mass

    MS-NW-3883          
    4'-chloroacetanilide
    C8H8ClNO            (Mass of molecular ion:    169)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       3.6
          28.0       1.2
          37.0       1.2
          38.0       2.0
          39.0       3.4
          42.0       1.0
          43.0      31.8
          50.0       1.9
          51.0       1.5
          52.0       1.5
          62.0       2.0
          63.0       5.2
          64.0       2.7
          65.0       5.9
          73.0       3.2
          74.0       1.1
          75.0       2.4
          77.0       1.0
          78.0       2.6
          90.0       1.7
          91.0       2.7
          92.0       6.8
          99.0       5.6
         100.0       3.7
         101.0       2.0
         102.0       1.3
         111.0       1.1
         126.0       1.7
         127.0     100.0
         128.0       7.9
         129.0      32.3
         130.0       2.3
         169.0      23.4
         170.0       2.3
         171.0       7.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C8 H8 Cl N O 0.042 g : 0.5 ml DMSO-d6
    4'-chloroacetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.09 B 7.633 C 7.349 D 2.067

         Hz     ppm     Int.
    

       4033.36  10.093     69
       3058.47   7.653     27
       3055.27   7.645    208
       3053.28   7.640     72
       3048.55   7.629     79
       3046.42   7.623    243
       3043.37   7.616     29
       2944.34   7.368     37
       2941.28   7.360    298
       2939.15   7.355     87
       2934.42   7.343     81
       2932.43   7.338    245
       2929.23   7.330     26
        826.11   2.068   1000
    

KBr disc

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nujol mull

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