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106-47-8

4-氯苯胺(106-47-8)红外图谱(IR3)

产品名称:4-氯苯胺

CAS:106-47-8

分子式:C6H6ClN

分子量: 127.57

InChI:InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

InChIKey: QSNSCYSYFYORTR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1780          
    p-chloroaniline
    C6H6ClN             (Mass of molecular ion:    127)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          28.0       3.4
          37.0       2.3
          38.0       3.3
          39.0       7.4
          40.0       1.2
          41.0       3.9
          42.0       1.2
          44.5       1.6
          45.5       7.2
          50.0       2.2
          51.0       1.7
          52.0       3.1
          61.0       1.8
          62.0       2.9
          63.0       6.3
          64.0       5.6
          65.0      24.2
          66.0       3.0
          73.0       3.2
          74.0       1.2
          75.0       2.0
          90.0       2.0
          91.0      11.2
          92.0      18.0
          93.0       1.2
          99.0       5.4
         100.0       8.7
         101.0       2.4
         102.0       2.8
         126.0       1.9
         127.0     100.0
         128.0       7.5
         129.0      32.4
         130.0       2.3
         196.0       1.3
         210.0       1.8
         287.0       1.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H6 Cl N 0.045 g : 0.5 ml CDCl3
    p-chloroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.074 B 6.574 C 3.57 J(A,B)=8.8HZ

         Hz     ppm     Int.
    

        641.69   7.165     66
        638.69   7.132    739
        636.44   7.107    242
        635.00   7.091     43
        634.69   7.087     42
        632.13   7.059    296
        629.81   7.033   1000
        626.75   6.999    128
        595.44   6.649    108
        592.38   6.615    998
        590.13   6.590    271
        585.75   6.541    234
        583.56   6.516    625
        580.44   6.482     69
        319.56   3.569    359
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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OXIDATION WITH PERBENZOIC ACID

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