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879-39-0

2,3,4,5-四氯硝基苯(879-39-0)核磁图(13CNMR)

分子式:C6HCl4NO2

分子量: 260.89

InChI:InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H

InChIKey: MTBYTWZDRVOMBR-UHFFFAOYSA-N

Smiles:C1(Cl)=CC([N+]([O-])=O)=C(Cl)C(Cl)=C1Cl

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    Mass

    MS-NW-6748          
    1,2,3,4-tetrachloro-5-nitrobenzene
    C6HCl4NO2           (Mass of molecular ion:    259)
    

       Source Temperature: 180 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.3
          28.0       1.0
          30.0      62.5
          35.0       3.0
          36.0       5.9
          37.0       8.7
          38.0       1.1
          46.0       3.2
          47.0       5.1
          48.0       1.8
          49.0       3.0
          60.0       5.1
          61.0       8.0
          62.0       1.4
          71.0       6.9
          71.5       1.4
          72.0       6.8
          72.5       1.1
          73.0      23.4
          74.0       2.6
          83.0       5.0
          84.0      11.6
          85.0       3.1
          86.0       5.2
          87.0       2.4
          89.0       2.0
          90.0       2.2
          94.0       1.9
          95.0       2.9
          96.0       6.3
          97.0       1.7
          98.0       2.5
         106.0       2.7
         107.0      11.3
         108.0      56.3
         109.0       8.9
         110.0      18.8
         111.0       1.9
         117.0       1.5
         118.0      12.2
         119.0       3.1
         120.0       8.1
         121.0       2.1
         122.0       2.3
         130.0       1.2
         131.0       8.5
         132.0       1.6
         133.0       5.6
         135.0       1.0
         141.0       3.8
         142.0      13.3
         143.0      35.6
         144.0      11.2
         145.0      22.8
         146.0       3.4
         147.0       4.1
         153.0       1.1
         155.0       1.0
         166.0       1.9
         167.0       1.0
         168.0       2.0
         177.0      22.5
         178.0      47.1
         179.0      24.4
         180.0      46.2
         181.0      10.4
         182.0      15.2
         183.0       1.9
         184.0       2.0
         192.0       1.1
         194.0       4.9
         196.0       5.2
         198.0       2.5
         201.0      73.8
         202.0       4.6
         203.0      94.5
         204.0       5.8
         205.0      46.5
         206.0       2.9
         207.0      10.5
         209.0       1.0
         212.0       1.2
         213.0      69.4
         214.0       6.2
         215.0      89.4
         216.0       6.9
         217.0      43.7
         218.0       3.3
         219.0       9.7
         221.0       1.0
         229.0      20.3
         230.0       1.8
         231.0      25.4
         232.0       2.2
         233.0      12.7
         234.0       1.1
         235.0       3.0
         243.0       2.2
         245.0       3.0
         247.0       1.5
         259.0      77.6
         260.0       5.9
         261.0     100.0
         262.0       7.1
         263.0      48.8
         264.0       3.7
         265.0      11.0
         267.0       1.0
    

parameter in CDCl3

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    1H NMR 300 MHz
    C6 H Cl4 N O2 0.044 g : 0.5 ml CDCl3
    1,2,3,4-tetrachloro-5-nitrobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.895

         Hz     ppm     Int.
    

       2368.50   7.895   1000
    

in CDCl3

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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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