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117-18-0

四氯硝基苯(117-18-0)红外图谱(IR2)

产品名称:四氯硝基苯

CAS:117-18-0

分子式:C6HCl4NO2

分子量: 260.89

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

InChIKey: XQTLDIFVVHJORV-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1395          
    2,3,5,6-tetrachloro-1-nitrobenzene
    C6HCl4NO2           (Mass of molecular ion:    259)
    

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

          28.0       2.6
          30.0     100.0
          35.0       2.8
          36.0       5.8
          37.0      11.4
          46.0       3.9
          47.0       5.3
          48.0       1.6
          49.0       2.5
          60.0       4.1
          61.0       7.0
          62.0       1.0
          63.0       1.9
          71.0       5.4
          71.5       1.0
          72.0       5.9
          73.0      18.6
          74.0       2.1
          83.0       5.1
          84.0       6.5
          85.0       3.2
          86.0       3.3
          87.0       1.6
          89.0       1.3
          90.0       1.0
          94.0       1.0
          95.0       2.1
          96.0       4.6
          97.0       1.2
          98.0       1.8
         106.0       1.7
         107.0      10.2
         108.0      39.1
         109.0       6.9
         110.0      12.8
         111.0       1.2
         118.0      12.8
         119.0       2.2
         120.0       8.5
         121.0       1.6
         122.0       1.8
         131.0       7.5
         132.0       1.2
         133.0       4.8
         141.0       2.7
         142.0       8.9
         143.0      24.3
         144.0       7.0
         145.0      15.5
         146.0       2.0
         147.0       2.4
         166.0       2.0
         168.0       2.0
         177.0      13.9
         178.0      28.0
         179.0      15.1
         180.0      27.7
         181.0       5.9
         182.0       9.0
         183.0       1.0
         184.0       1.1
         194.0      11.8
         196.0      14.0
         198.0       6.4
         200.0       1.3
         201.0      61.9
         202.0       3.7
         203.0      80.0
         204.0       4.3
         205.0      38.1
         206.0       2.1
         207.0       8.2
         213.0      46.9
         214.0       3.3
         215.0      59.6
         216.0       4.0
         217.0      28.7
         218.0       2.0
         219.0       6.0
         224.0       2.3
         226.0       2.5
         229.0       5.3
         231.0       7.0
         233.0       3.3
         245.0       1.0
         259.0      48.9
         260.0       3.5
         261.0      61.9
         262.0       4.6
         263.0      30.3
         264.0       2.1
         265.0       6.4
    

parameter in CDCl3

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    1H NMR 300 MHz
    C6 H Cl4 N O2 0.05 g : 0.5 ml CDCl3
    2,3,5,6-tetrachloro-1-nitrobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.738

         Hz     ppm     Int.
    

       2321.40   7.738   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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