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89-63-4

4-氯-2-硝基苯胺(89-63-4)Raman光谱

产品名称:4-氯-2-硝基苯胺

CAS:89-63-4

分子式:C6H5ClN2O2

分子量: 172.57

InChI:InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2

InChIKey: PBGKNXWGYQPUJK-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(Cl)C=C1[N+]([O-])=O

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    Mass

    MS-NW-1695          
    4-chloro-2-nitroaniline
    C6H5ClN2O2          (Mass of molecular ion:    172)
    

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

          14.0       1.2
          17.0       1.6
          18.0       7.2
          26.0       1.7
          27.0       2.0
          28.0       4.0
          30.0       6.5
          36.0       1.3
          37.0       7.5
          38.0      10.4
          39.0      12.1
          40.0       3.3
          41.0       8.3
          42.0       1.0
          44.0       3.6
          44.5       2.8
          45.5       1.8
          47.0       1.1
          49.0       3.9
          50.0       7.2
          51.0      10.3
          52.0      24.1
          53.0       3.7
          54.0       1.8
          60.0       1.6
          61.0       9.0
          62.0      17.5
          63.0      55.3
          64.0      16.2
          65.0      10.4
          66.0       2.9
          72.0       2.9
          73.0      15.9
          74.0       4.2
          75.0       7.0
          76.0       6.9
          77.0       2.3
          78.0       9.5
          79.0       1.9
          85.0       1.0
          86.0       2.3
          87.0       3.7
          88.0       2.6
          89.0       5.4
          90.0      48.6
          91.0      21.1
          92.0       2.1
          97.0       2.1
          98.0       4.5
          99.0      57.4
         100.0       6.4
         101.0      18.8
         102.0       1.7
         103.0       2.8
         105.0       1.3
         111.0       1.0
         112.0       1.1
         113.0       1.0
         114.0      17.0
         115.0       1.3
         116.0       5.5
         124.0       2.6
         125.0       5.6
         126.0      83.1
         127.0       7.2
         128.0      26.4
         129.0       1.8
         142.0       9.4
         144.0       3.0
         155.0       2.8
         156.0       2.0
         157.0       1.2
         172.0     100.0
         173.0       7.9
         174.0      33.3
         175.0       2.5
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C6 H5 Cl N2 O2 0.041 g : 0.5 ml DMSO-d6
    4-chloro-2-nitroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.946 B 7.55 C 7.434 D 7.081

         Hz     ppm     Int.
    

        712.69   7.958    749
        710.25   7.931    807
        707.00   7.895     45
        693.56   7.745     36
        692.81   7.736     38
        692.31   7.731     36
        691.69   7.724     38
        690.56   7.711     45
        689.88   7.703     45
        689.25   7.696     52
        687.88   7.681     53
        687.25   7.674     57
        686.31   7.664     66
        685.88   7.659     67
        685.44   7.654     67
        684.88   7.648     77
        683.56   7.633     90
        683.25   7.629     95
        682.81   7.625     98
        681.69   7.612    130
        675.88   7.547    488
        675.31   7.541    487
        671.81   7.502    579
        669.31   7.474    408
        668.06   7.460    134
        666.31   7.440     89
        664.69   7.422    129
        662.69   7.400    617
        660.19   7.372    564
        657.75   7.345     63
        657.06   7.337     57
        655.63   7.321     44
        654.69   7.311     37
        654.25   7.306     41
        637.31   7.117   1000
        634.50   7.085     44
        634.00   7.080     38
        628.19   7.015    589
        626.13   6.992     36
    

in DMSO-d6

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KBr disc

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nujol mull

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