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89-61-2

2,5-二氯硝基苯(89-61-2)质谱(MS)

产品名称:2,5-二氯硝基苯

CAS:89-61-2

分子式:C6H3Cl2NO2

分子量: 192

InChI:InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

InChIKey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1853          
    1,4-dichloro-2-nitrobenzene
    C6H3Cl2NO2          (Mass of molecular ion:    191)
    

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

          26.0       1.2
          28.0       6.4
          30.0      94.8
          35.0       1.6
          36.0       2.9
          37.0      14.1
          38.0       8.5
          39.0       1.6
          46.0       2.2
          47.0       2.7
          48.0       1.5
          49.0       7.7
          50.0      26.3
          51.0       4.2
          54.5       1.2
          60.0       3.8
          61.0       8.7
          62.0       7.0
          63.0      11.1
          64.0       1.4
          71.0       1.0
          72.0       4.3
          73.0      23.5
          74.0      74.3
          75.0      56.3
          76.0       4.3
          83.0       3.6
          84.0      18.9
          85.0      13.0
          86.0       7.2
          87.0       4.9
          88.0       1.6
          97.0       3.2
          98.0       2.2
          99.0       1.0
         107.0       2.2
         108.0       4.5
         109.0     100.0
         110.0      23.2
         111.0      32.8
         112.0       7.4
         118.0       1.0
         119.0       2.5
         121.0       1.6
         124.0       1.4
         126.0       1.8
         128.0       1.0
         133.0      91.0
         134.0       5.2
         135.0      58.7
         136.0       3.2
         137.0       9.7
         144.0       1.5
         145.0      85.1
         146.0       6.7
         147.0      53.8
         148.0       3.8
         149.0       8.6
         161.0       9.4
         163.0       6.3
         165.0       1.0
         175.0       2.5
         177.0       1.6
         191.0      65.2
         192.0       4.6
         193.0      42.2
         194.0       3.0
         195.0       6.9
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H3 Cl2 N O2 0.043 g : 0.5 ml CDCl3
    1,4-dichloro-2-nitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.887 B 7.51 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       3153.44   7.891    240
       3152.10   7.888    399
       3150.63   7.884    244
       3003.78   7.517    984
       3002.32   7.513   1000
    

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    1H NMR 89.56 MHz
    C6 H3 Cl2 N O2 0.048 g : 0.5 ml CDCl3
    1,4-dichloro-2-nitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.878 B 7.51

         Hz     ppm     Int.
    

        707.00   7.895    222
        705.63   7.879    391
        704.25   7.864    244
        702.00   7.839     38
        701.19   7.830     30
        673.13   7.516   1000
        671.75   7.501    925
        666.31   7.440     32
        665.94   7.436     29
        665.06   7.426     27
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,100M,powder

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