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95-79-4

5-氯邻甲苯胺(95-79-4)红外图谱(IR1)

产品名称:5-氯邻甲苯胺

CAS:95-79-4

分子式:C7H8ClN

分子量: 141.6

InChI:InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

InChIKey: WRZOMWDJOLIVQP-UHFFFAOYSA-N

Smiles:C1(N)=CC(Cl)=CC=C1C

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    Mass

    MS-IW-1105          
    5-chloro-o-toluidine
    C7H8ClN             (Mass of molecular ion:    141)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          28.0       1.5
          30.0       1.3
          38.0       1.0
          39.0       1.9
          42.0       1.0
          50.0       1.9
          51.0       4.6
          51.5       1.7
          52.0       3.0
          52.5       6.4
          53.0       1.8
          63.0       2.0
          65.0       1.0
          70.5       2.2
          75.0       1.4
          76.0       1.0
          77.0      16.9
          78.0       4.3
          79.0       7.1
          80.0       1.0
          89.0       6.9
         104.0       3.9
         105.0       1.9
         106.0      74.9
         107.0       9.5
         113.0       4.3
         115.0       1.4
         124.0       2.4
         125.0       1.1
         140.0      49.4
         141.0     100.0
         142.0      23.5
         143.0      32.1
         144.0       2.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H8 Cl N 0.05 ml : 0.5 ml CDCl3
    5-chloro-o-toluidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.88 B 6.63 C 6.57 D 3.54 E 2.043

         Hz     ppm     Int.
    

        621.50   6.940     82
        620.88   6.933     82
        620.13   6.925     66
        613.94   6.856    105
        613.25   6.848    148
        612.50   6.839    162
        597.25   6.669    131
        595.19   6.646    204
        593.00   6.622     35
        589.50   6.583    187
        588.31   6.569    418
        316.81   3.538     65
        183.06   2.044   1000
        173.31   1.936     24
    

in CDCl3

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KBr disc

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nujol mull

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