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

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

¹H NMR	399.65 MHz
C₇ H₆ N₂ O₅	0.041 g : 0.5 ml CDCl₃
2,4-dinitroanisole

    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

CCl4 solution

KBr disc

nujol mull

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