5367-32-8

3-甲基-4-硝基苯甲醚(5367-32-8)质谱(MS)

产品名称:3-甲基-4-硝基苯甲醚

CAS:5367-32-8

分子式:C8H9NO3

分子量: 167.16

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

InChIKey: RTZOGYCMIMOVHU-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=CC=C(OC)C=C1C

Mass

MS-NW-6903          
3-methyl-4-nitroanisole
C8H9NO3             (Mass of molecular ion:    167)

   Source Temperature: 120 °C
   Sample Temperature:  70 °C
   Direct, 75 eV

      15.0       4.6
      18.0       2.3
      26.0       1.6
      27.0       4.7
      28.0       3.7
      29.0       1.9
      30.0       3.7
      37.0       1.7
      38.0       5.3
      39.0      16.8
      40.0       2.7
      41.0       6.7
      42.0       1.3
      43.0       2.0
      45.0       1.3
      50.0       9.1
      51.0      21.7
      52.0      17.4
      53.0       8.8
      54.0       1.5
      55.0       3.9
      59.0       1.9
      61.0       1.6
      62.0       5.1
      63.0      13.8
      64.0       4.6
      65.0      21.2
      66.0       6.5
      67.0       3.6
      68.0       1.4
      74.0       2.6
      75.0       2.3
      76.0       2.6
      77.0      29.9
      78.0      29.8
      79.0       7.6
      80.0       3.8
      81.0       2.0
      86.0       1.0
      89.0       8.1
      90.0       8.3
      91.0      28.1
      92.0      10.1
      93.0       2.2
      94.0       6.8
      95.0      26.6
      96.0       2.3
     105.0       4.5
     106.0      14.1
     107.0       6.4
     108.0       5.8
     109.0       5.0
     120.0       2.3
     121.0       8.4
     122.0      20.7
     123.0       2.9
     134.0       1.2
     135.0       3.3
     136.0       5.3
     137.0       8.2
     138.0       1.5
     150.0     100.0
     151.0       9.9
     152.0       1.3
     167.0      84.9
     168.0       8.4
     169.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ N O₃	0.038 g : 0.5 ml CDCl₃
3-methyl-4-nitroanisole

    Assign.     Shift(ppm)

      A             8.076
      B             6.797
      C             6.78
      D             3.879
      E             2.627

     Hz     ppm     Int.

   3232.18   8.088    133
   3223.27   8.066    138
   2723.39   6.815     56
   2720.58   6.808     80
   2714.23   6.792     40
   2711.67   6.786    105
   2709.11   6.779    140
   2706.91   6.774     66
   2706.30   6.772     72
   1550.42   3.880   1000
   1049.80   2.627    611

in CDCl3