4-甲基-3-硝基苯胺(119-32-4)紅外圖譜(IR2)

產(chǎn)品名稱:4-甲基-3-硝基苯胺

CAS:119-32-4

分子式:C7H8N2O2

分子量: 152.15

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

InChIKey: GDIIPKWHAQGCJF-UHFFFAOYSA-N

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

Mass

MS-NW-1713          
3-nitro-p-toluidine
C7H8N2O2            (Mass of molecular ion:    152)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.3
      26.0       1.7
      27.0       8.7
      28.0      18.0
      29.0       1.3
      30.0       6.2
      37.0       1.7
      38.0       4.2
      39.0      17.8
      40.0       3.5
      41.0       8.8
      42.0       5.5
      49.0       1.1
      50.0       9.8
      51.0      24.5
      52.0      21.8
      53.0      17.9
      54.0      11.0
      55.0       1.1
      61.0       1.6
      62.0       4.2
      63.0      10.1
      64.0       4.0
      65.0      10.7
      66.0       8.9
      67.0       7.2
      74.0       2.1
      75.0       2.6
      76.0       4.2
      77.0      84.5
      78.0      29.8
      79.0      54.5
      80.0      34.9
      81.0       2.8
      89.0       5.6
      90.0       2.4
      91.0       3.8
      92.0       4.0
      93.0       5.8
      94.0       4.9
      95.0       1.1
     102.0       1.2
     104.0      38.9
     105.0      56.2
     106.0      64.6
     107.0      88.4
     108.0       8.8
     118.0       1.8
     120.0       1.0
     122.0       2.0
     135.0      77.6
     136.0       7.0
     152.0     100.0
     153.0       8.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₈ N₂ O₂	0.038 g : 0.5 ml CDCl₃
3-nitro-p-toluidine

    Assign.     Shift(ppm)

      A             7.276
      B             7.075
      C             6.810
      D             3.88
      E             2.449

     Hz     ppm     Int.

   2909.30   7.280    242
   2906.86   7.274    250
   2831.91   7.086    149
   2823.73   7.066    171
   2726.68   6.823    134
   2724.12   6.817    128
   2718.38   6.802    115
   2715.94   6.796    108
   1552.86   3.886    101
    978.88   2.450   1000

in CDCl3