1,4-DIMETHOXY-2-NITROBENZENE(89-39-4) MS

Product Name1,4-DIMETHOXY-2-NITROBENZENE

CAS 89-39-4

Molecular FormulaC8H9NO4

Molecular Weight183.16

InChIInChI=1S/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3

InChIKey UPTOWXNJLZJTGD-UHFFFAOYSA-N

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

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1,4-DIMETHOXY-2-NITROBENZENE(89-39-4) MS
Mass

MS-NW-1679          
1,4-dimethoxy-2-nitrobenzene
C8H9NO4             (Mass of molecular ion:    183)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       5.5
      18.0       1.2
      26.0       1.8
      27.0       1.2
      28.0       3.7
      29.0       1.7
      30.0       8.5
      37.0       1.4
      38.0       2.3
      39.0       6.4
      41.0       1.4
      50.0       6.0
      51.0      17.1
      52.0      10.1
      53.0      14.0
      54.0       1.6
      55.0       1.4
      59.0       1.5
      61.0       2.0
      62.0       5.4
      63.0      12.0
      64.0       9.3
      65.0       4.1
      66.0       3.6
      67.0       1.3
      68.0       1.0
      69.0       8.3
      74.0       2.2
      75.0       2.1
      76.0       4.6
      77.0      47.5
      78.0       5.2
      79.0      25.7
      80.0       5.3
      81.0       1.1
      82.0       2.0
      92.0      27.4
      93.0       5.3
      94.0       8.1
      95.0       5.2
     105.0       2.0
     106.0       1.0
     107.0      43.1
     108.0       6.6
     109.0      11.7
     110.0       7.3
     122.0      21.1
     123.0      24.8
     124.0       3.4
     125.0       7.1
     136.0       9.9
     137.0       1.9
     153.0       3.1
     168.0       5.3
     183.0     100.0
     184.0       9.4
     185.0       1.2

90 MHz in CDCl3

1,4-DIMETHOXY-2-NITROBENZENE(89-39-4) MS

¹H NMR	89.56 MHz
C₈ H₉ N O₄	0.040 g : 0.5 ml CDCl₃
1,4-dimethoxy-2-nitrobenzene

    Assign.     Shift(ppm)

      A             7.378
      B             7.11
      C             7.05
      D     *1      3.914
      E     *1      3.812
     
     J(A,B)=2.6 HZ.
     J(A,C)=0.9 HZ.
     J(B,C)=9.1 HZ.
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    662.63   7.399     66
    661.75   7.389     68
    660.06   7.371     86
    659.19   7.361     86
    644.69   7.199     30
    635.56   7.097    171
    632.94   7.068    255
    631.81   7.055    152
    350.50   3.914    993
    341.44   3.813   1000

in CDCl3