2-Amino-4-nitro anisidine(99-59-2) ¹³C NMR

Product Name2-Amino-4-nitro anisidine

CAS 99-59-2

Molecular FormulaC7H8N2O3

Molecular Weight168.15

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

InChIKey NIPDVSLAMPAWTP-UHFFFAOYSA-N

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

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Mass

MS-NW-8110          
5-nitro-o-anisidine
C7H8N2O3            (Mass of molecular ion:    168)

   Source Temperature: 150 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      17.0       1.4
      18.0       7.1
      28.0       7.4
      30.0       6.5
      38.0       1.7
      39.0       3.4
      40.0       1.0
      41.0       3.9
      42.0       1.4
      44.0       1.1
      50.0       2.9
      51.0       8.8
      52.0      17.1
      53.0       5.1
      54.0       1.8
      62.0       1.9
      63.0       3.8
      64.0       2.2
      65.0      10.9
      66.0       2.2
      67.0       8.6
      68.0       1.8
      76.0       1.3
      77.0       9.7
      78.0       7.4
      79.0      16.2
      80.0       5.2
      82.0       1.3
      90.0       3.0
      91.0       2.5
      92.0       8.6
      93.0       4.8
      94.0       3.5
      95.0      14.6
      96.0       1.1
     106.0       1.3
     107.0       8.8
     110.0       4.4
     121.0       1.9
     122.0      20.1
     123.0       4.5
     138.0       3.6
     150.0       1.2
     152.0       1.1
     153.0      24.7
     154.0       1.8
     168.0     100.0
     169.0       8.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ N₂ O₃	0.044 g : 0.5 ml CDCl₃
5-nitro-o-anisidine

    Assign.     Shift(ppm)

      A             7.642
      B             7.540
      C             6.784
      D             4.07
      E             3.938
     
     J(A,B)=2.7HZ, J(A,C)=8.7HZ, J(B,C)=0.3HZ

     Hz     ppm     Int.

    690.94   7.715     81
    688.25   7.685    122
    682.31   7.619     73
    679.56   7.588    177
    676.38   7.553    208
    676.06   7.549    219
    673.69   7.523    133
    611.50   6.828    147
    602.81   6.731    118
    364.56   4.071     76
    352.88   3.941   1000

in CDCl3