4-甲基-2-硝基苯胺(89-62-3)Raman光譜

產(chǎn)品名稱:4-甲基-2-硝基苯胺

CAS:89-62-3

分子式:C7H8N2O2

分子量: 152.15

InChI:InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3

InChIKey: DLURHXYXQYMPLT-UHFFFAOYSA-N

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

Mass

MS-NW-1709          
2-nitro-p-toluidine
C7H8N2O2            (Mass of molecular ion:    152)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      17.0       1.4
      18.0       5.5
      26.0       3.2
      27.0      12.9
      28.0      13.2
      29.0       1.5
      30.0       6.8
      37.0       3.8
      38.0       8.4
      39.0      25.8
      40.0       4.6
      41.0       9.3
      42.0       5.8
      44.0       1.6
      46.0       1.4
      49.0       2.0
      50.0      14.3
      51.0      34.9
      52.0      35.2
      53.0      21.6
      54.0      10.3
      55.0       1.2
      61.0       2.5
      62.0       5.6
      63.0      11.9
      64.0       6.2
      65.0      13.5
      66.0      12.2
      67.0       6.6
      74.0       3.4
      75.0       3.9
      76.0       7.7
      77.0      82.7
      78.0      27.0
      79.0      62.2
      80.0      10.2
      89.0       3.9
      90.0       2.9
      91.0       7.5
      92.0       2.7
      93.0       5.6
      94.0      26.7
      95.0       1.8
     102.0       1.3
     103.0       1.0
     104.0      24.9
     105.0      13.5
     106.0      80.4
     107.0       6.9
     122.0       9.9
     135.0       2.9
     136.0       2.5
     151.0       2.7
     152.0     100.0
     153.0       8.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ N₂ O₂	0.046 g : 0.5 ml CDCl₃
2-nitro-p-toluidine

    Assign.     Shift(ppm)

      A             7.261
      B             7.061
      C             6.803
      D             3.84
      E             2.444
     
     J(A,C)=2.3HZ. J(B,C)=8.1HZ.

     Hz     ppm     Int.

    651.56   7.276    173
    649.31   7.251    202
    637.75   7.121    105
    629.56   7.030    187
    613.50   6.851    130
    611.19   6.825    126
    607.31   6.782     23
    605.31   6.759     74
    602.88   6.732     70
    343.88   3.840    156
    334.13   3.731     27
    218.88   2.444   1000

in CDCl3