97-52-9

2-Methoxy-4-nitroaniline(97-52-9) IR1

Product Name2-Methoxy-4-nitroaniline

CAS 97-52-9

Molecular FormulaC7H8N2O3

Molecular Weight168.15

InChIInChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3

InChIKey GVBHRNIWBGTNQA-UHFFFAOYSA-N

SmilesC1(N)=CC=C([N+]([O-])=O)C=C1OC

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2-Methoxy-4-nitroaniline(97-52-9) IR1
Mass

MS-NW-0728          
4-nitro-o-anisidine
C7H8N2O3            (Mass of molecular ion:    168)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       2.6
      18.0       2.9
      26.0       1.0
      27.0       2.2
      28.0       9.4
      29.0       1.9
      30.0       5.1
      37.0       1.7
      38.0       3.5
      39.0       5.8
      40.0       1.6
      41.0       6.9
      42.0       2.2
      50.0       5.8
      51.0      12.9
      52.0      34.8
      53.0       9.6
      54.0       3.8
      55.0       1.0
      61.0       1.6
      62.0       3.3
      63.0       6.1
      64.0       3.8
      65.0      15.3
      66.0       3.7
      67.0      13.1
      68.0       1.4
      76.0       2.0
      77.0      14.5
      78.0      12.3
      79.0      45.4
      80.0       4.7
      90.0       3.9
      91.0       5.7
      92.0      11.2
      93.0       7.6
      94.0       5.2
      95.0      12.5
     105.0       1.1
     107.0      14.0
     108.0       1.4
     110.0       2.7
     121.0       2.4
     122.0      23.4
     123.0       2.5
     138.0      28.4
     139.0       2.6
     152.0       2.3
     153.0      35.0
     154.0       2.6
     168.0     100.0
     169.0       8.7
     170.0       1.0

90 MHz in CDCl3

2-Methoxy-4-nitroaniline(97-52-9) IR1

¹H NMR	89.56 MHz
C₇ H₈ N₂ O₃	0.050 g : 0.5 ml CDCl₃
4-nitro-o-anisidine

    Assign.     Shift(ppm)

      A             7.798
      B             7.66
      C             6.64
      D             4.50
      E             3.926
     
     J(A,B)=2.0HZ
     J(A,C)=8.6HZ

     Hz     ppm     Int.

    704.56   7.867    118
    704.25   7.864    121
    702.38   7.843    121
    702.06   7.839    121
    699.63   7.812     67
    698.81   7.803     71
    695.63   7.768    145
    695.31   7.764    142
    693.63   7.745    159
    691.31   7.719     91
    686.94   7.671    258
    598.31   6.681    188
    589.81   6.586    156
    403.13   4.502    186
    351.69   3.927   1000
    346.56   3.870     93
    344.88   3.851     69

in CDCl3