5345-42-6

3-甲基-2-硝基苯甲醚(5345-42-6)Raman光谱

产品名称:3-甲基-2-硝基苯甲醚

CAS:5345-42-6

分子式:C8H9NO3

分子量: 167.16

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

InChIKey: MGBRGNWARSQECY-UHFFFAOYSA-N

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

Mass

MS-IW-8126          
3-methyl-2-nitroanisole
C8H9NO3             (Mass of molecular ion:    167)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.9
      27.0       2.6
      28.0       2.7
      29.0       1.1
      30.0       2.6
      37.0       1.2
      38.0       3.0
      39.0      14.8
      40.0       2.2
      41.0       4.0
      42.0       1.9
      43.0       1.3
      50.0       7.8
      51.0      19.5
      52.0      14.4
      53.0       9.3
      54.0       1.0
      55.0       1.8
      59.0       4.9
      61.0       1.3
      62.0       3.7
      63.0      10.6
      64.0       4.5
      65.0      40.3
      66.0      10.3
      67.0       4.3
      68.0       1.0
      74.0       2.2
      75.0       2.1
      76.0       3.3
      77.0      28.8
      78.0      26.9
      79.0       8.4
      80.0       4.0
      81.0       4.5
      89.0       7.3
      90.0      10.7
      91.0      60.5
      92.0      14.0
      93.0       7.9
      94.0      16.1
      95.0      27.4
      96.0       2.2
     104.0       1.3
     105.0      19.5
     106.0      17.9
     107.0       6.0
     108.0       5.3
     109.0       4.3
     118.0       1.5
     119.0       1.4
     120.0       7.8
     121.0       2.0
     122.0       7.7
     123.0       1.4
     135.0       8.0
     136.0       2.8
     137.0       1.6
     150.0      97.5
     151.0       9.4
     152.0       1.1
     167.0     100.0
     168.0       9.6
     169.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ N O₃	0.043 g : 0.5 ml CDCl₃
3-methyl-2-nitroanisole

    Assign.     Shift(ppm)

      A             7.284
      B             6.86
      C             3.868
      D             2.294

     Hz     ppm     Int.

    661.88   7.391     48
    654.50   7.308     60
    653.13   7.293     62
    645.88   7.212     90
    618.31   6.904    101
    616.94   6.889    101
    616.25   6.881     93
    609.56   6.807     89
    608.94   6.800     80
    608.31   6.793     57
    607.75   6.786     41
    346.50   3.869   1000
    344.50   3.847     47
    205.50   2.295    555

in CDCl3