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83-42-1

2-氯-6-硝基甲苯(83-42-1)Raman光谱

产品名称:2-氯-6-硝基甲苯

CAS:83-42-1

分子式:C7H6ClNO2

分子量: 171.58

InChI:InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

InChIKey: XCSNRORTQRKCHB-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC([N+]([O-])=O)=C1C

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    Mass

    MS-NW-8767          
    2-chloro-6-nitrotoluene
    C7H6ClNO2           (Mass of molecular ion:    171)
    

       Source Temperature: 250 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.6
          28.0       3.7
          30.0       2.9
          36.0       1.4
          37.0       1.5
          38.0       3.7
          39.0      16.8
          40.0       1.3
          43.0       1.5
          49.0       1.8
          50.0       6.3
          51.0      13.0
          52.0       2.6
          61.0       3.4
          62.0      10.8
          63.0      38.9
          64.0       6.8
          65.0       5.4
          73.0       9.4
          74.0       3.6
          75.0       9.4
          76.0       2.2
          77.0      26.1
          78.0       6.6
          85.0       2.2
          86.0       3.0
          87.0       3.9
          88.0       1.5
          89.0      68.2
          90.0      51.4
          91.0       7.8
          92.0       1.2
          97.0       1.5
          98.0       1.0
          99.0      36.3
         100.0       3.0
         101.0      11.4
         102.0       1.0
         111.0       1.2
         112.0       1.4
         113.0       1.9
         123.0       1.3
         124.0       3.4
         125.0      31.2
         126.0      50.8
         127.0      16.2
         128.0      16.2
         129.0       2.1
         154.0     100.0
         155.0       8.6
         156.0      31.9
         157.0       2.8
         171.0      22.3
         172.0       1.9
         173.0       7.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H6 Cl N O2 0.041 g : 0.5 ml CDCl3
    2-chloro-6-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.67 B 7.62 C 7.282 D 2.534

         Hz     ppm     Int.
    

        694.06   7.750     73
        693.69   7.746     72
        692.50   7.733     84
        685.50   7.655    144
        684.63   7.645    180
        677.38   7.564    162
        677.00   7.560    159
        675.88   7.547    106
        675.50   7.543     96
        658.50   7.353    130
        657.94   7.347    125
        650.56   7.264    191
        650.00   7.258    136
        642.50   7.174     49
        641.88   7.168     49
        227.19   2.537   1000
        226.69   2.532    966
    

in CDCl3

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KBr disc

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liquid film

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nujol mull

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4880 A,200 M,powder

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