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3460-18-2

2,5-二溴硝基苯(3460-18-2)质谱(MS)

产品名称:2,5-二溴硝基苯

CAS:3460-18-2

分子式:C6H3Br2NO2

分子量: 280.9

InChI:InChI=1S/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

InChIKey: WRGKKASJBOREMB-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1241          
    1,4-dibromo-2-nitrobenzene
    C6H3Br2NO2          (Mass of molecular ion:    279)
    

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

          18.0       1.3
          28.0       2.6
          30.0      40.3
          36.0       1.7
          37.0      11.0
          38.0       9.0
          39.0       1.3
          46.0       1.3
          49.0       5.5
          50.0      12.4
          51.0       1.6
          60.0       1.1
          61.0       4.5
          62.0       5.1
          63.0      14.3
          64.0       1.7
          72.0       1.0
          73.0      11.4
          74.0      66.5
          75.0      90.5
          76.0       7.9
          77.0       1.7
          78.0       1.5
          79.0       1.3
          81.0       1.2
          88.0       1.0
         104.0       1.1
         106.0       1.0
         117.0       2.7
         119.0       2.5
         128.0       4.2
         129.0       1.3
         130.0       4.2
         131.0       1.3
         142.0       1.9
         143.0       1.0
         144.0       2.0
         153.0      18.5
         154.0      37.1
         155.0      20.4
         156.0      35.8
         157.0       2.8
         170.0      15.9
         171.0       1.3
         172.0      17.3
         173.0       1.3
         174.0       2.1
         200.0       6.7
         202.0       6.6
         221.0      23.7
         222.0       1.4
         223.0      45.6
         224.0       2.7
         225.0      22.8
         226.0       1.3
         233.0      33.0
         234.0       2.7
         235.0      63.8
         236.0       4.6
         237.0      30.7
         238.0       2.1
         249.0       2.6
         251.0       5.5
         253.0       2.6
         265.0       1.2
         279.0      50.7
         280.0       3.8
         281.0     100.0
         282.0       7.2
         283.0      48.9
         284.0       3.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H3 Br2 N O2 0.043 g : 0.5 ml CDCl3
    1,4-dibromo-2-nitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.982 B 7.62 C 7.55

         Hz     ppm     Int.
    

        716.19   7.997    205
        715.38   7.988    232
        714.44   7.978    228
        713.63   7.969    243
        689.06   7.694     24
        688.25   7.685     53
        680.50   7.599    577
        679.75   7.590   1000
        678.00   7.571    501
        671.25   7.495     30
        669.50   7.476     47
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,100M,powder

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