4837-88-1

2-Methyl-3-nitroanisole(4837-88-1) IR2

Product Name2-Methyl-3-nitroanisole

CAS 4837-88-1

Molecular FormulaC8H9NO3

Molecular Weight167.16

InChIInChI=1S/C8H9NO3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3

InChIKey HQCZLEAGIOIIMC-UHFFFAOYSA-N

SmilesC1(OC)=CC=CC([N+]([O-])=O)=C1C

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2-Methyl-3-nitroanisole(4837-88-1) IR2
Mass

MS-IW-0564          
2-methyl-3-nitroanisole
C8H9NO3             (Mass of molecular ion:    167)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       1.0
      27.0       2.2
      28.0       2.6
      30.0       1.1
      38.0       1.5
      39.0      11.4
      40.0       1.2
      41.0       2.9
      43.0       2.0
      50.0       5.9
      51.0      19.3
      52.0      15.3
      53.0       5.3
      55.0       1.6
      59.0       1.4
      62.0       2.3
      63.0       9.6
      64.0       3.9
      65.0      29.9
      66.0       5.0
      67.0       2.0
      74.0       1.4
      75.0       1.9
      76.0       3.5
      77.0      31.0
      78.0      30.2
      79.0       8.6
      80.0       1.5
      89.0       7.1
      90.0      14.8
      91.0      56.6
      92.0     100.0
      93.0       9.7
      94.0       4.6
      95.0       7.2
     105.0      17.4
     106.0      16.0
     107.0       7.7
     108.0       2.1
     120.0       1.9
     121.0       1.6
     122.0       5.8
     135.0       7.9
     150.0      77.6
     151.0       7.7
     167.0      52.0
     168.0       5.1

400 MHz in CDCl3

2-Methyl-3-nitroanisole(4837-88-1) IR2

¹H NMR	399.65 MHz
C₈ H₉ N O₃	0.038 g : 0.5 ml CDCl₃
2-methyl-3-nitroanisole

    Assign.     Shift(ppm)

      A             7.383
      B             7.259
      C             7.042
      D             3.885
      E             2.349

     Hz     ppm     Int.

   2955.32   7.395     81
   2954.22   7.393     86
   2947.14   7.375    114
   2946.04   7.372    118
   2909.55   7.281     65
   2909.06   7.280     75
   2901.37   7.260    117
   2900.76   7.259    137
   2893.07   7.240     57
   2892.58   7.238     67
   2818.12   7.052    104
   2817.75   7.051    104
   2810.30   7.032     84
   2809.94   7.032     87
   2809.57   7.031     86
   1552.61   3.885   1000
    938.72   2.349    763

in CDCl3