1-Methoxy-2,4-dinitrobenzene(119-27-7) MS

Product Name1-Methoxy-2,4-dinitrobenzene

CAS 119-27-7

Molecular FormulaC7H6N2O5

Molecular Weight198.13

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

InChIKey CVYZVNVPQRKDLW-UHFFFAOYSA-N

SmilesC1(OC)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

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1-Methoxy-2,4-dinitrobenzene(119-27-7) MS
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

1-Methoxy-2,4-dinitrobenzene(119-27-7) MS

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