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119-27-7

2,4-二硝基苯甲醚(119-27-7)质谱(MS)

产品名称:2,4-二硝基苯甲醚

CAS:119-27-7

分子式:C7H6N2O5

分子量: 198.13

InChI:InChI=1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3

InChIKey: CVYZVNVPQRKDLW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4823          
    2,4-dinitroanisole
    C7H6N2O5            (Mass of molecular ion:    198)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          15.0       8.9
          18.0       2.0
          26.0       3.1
          27.0       2.6
          28.0       8.1
          29.0       4.6
          30.0      40.9
          31.0      13.6
          37.0       6.2
          38.0       8.3
          39.0      16.9
          40.0       1.5
          42.0       1.0
          43.0       1.1
          46.0       2.4
          49.0       1.7
          50.0      26.7
          51.0      29.4
          52.0      11.0
          53.0      12.9
          54.0       2.7
          55.0       7.2
          59.0       2.6
          61.0       6.9
          62.0      20.4
          63.0      42.4
          64.0      13.0
          65.0       5.9
          66.0      11.0
          67.0       2.6
          68.0       2.1
          69.0       2.4
          73.0       2.5
          74.0      15.5
          75.0      44.9
          76.0      78.0
          77.0      20.8
          78.0      22.4
          79.0      56.8
          80.0      10.5
          81.0       2.3
          82.0       4.5
          91.0      12.1
          92.0      26.8
          93.0      13.9
          94.0       5.2
          95.0       2.9
         105.0      16.6
         106.0      12.8
         107.0      17.5
         108.0       7.7
         109.0       2.0
         110.0       2.3
         120.0       1.8
         121.0       2.3
         122.0      15.1
         123.0       3.0
         136.0       1.5
         137.0       6.4
         138.0      11.4
         139.0       1.3
         140.0       1.8
         151.0      63.5
         152.0       5.3
         168.0     100.0
         169.0      14.2
         170.0       1.7
         182.0       3.1
         198.0      84.3
         199.0       7.8
         200.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 N2 O5 0.041 g : 0.5 ml CDCl3
    2,4-dinitroanisole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.703 B 8.434 C 7.251 D 4.105

         Hz     ppm     Int.
    

       3479.74   8.707    165
       3477.05   8.701    175
       3376.95   8.450    100
       3374.15   8.443     98
       3367.68   8.427    106
       3364.87   8.420    101
       2902.34   7.263    159
       2893.07   7.240    153
       1640.87   4.106   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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