鄰甲苯胺(95-53-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:鄰甲苯胺

CAS:95-53-4

分子式:C7H9N

分子量: 107.15

InChI:InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3

InChIKey: RNVCVTLRINQCPJ-UHFFFAOYSA-N

Smiles:C1(N)=CC=CC=C1C

Mass

MS-NW-0461          
o-toluidine
C7H9N               (Mass of molecular ion:    107)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.9
      28.0       4.1
      30.0       2.0
      38.0       2.0
      39.0       6.6
      40.0       1.2
      41.0       2.1
      42.0       1.6
      50.0       3.5
      51.0       6.5
      52.0       5.4
      52.5       1.6
      53.0       5.9
      53.5       3.0
      54.0       2.2
      62.0       1.2
      63.0       2.8
      64.0       1.5
      65.0       2.8
      66.0       1.4
      77.0      14.3
      78.0       5.2
      79.0      11.7
      80.0       4.3
      89.0       6.1
      90.0       5.7
      91.0       3.6
     104.0       2.5
     105.0       1.0
     106.0      97.7
     107.0     100.0
     108.0       7.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₉ N	0.05 ml : 0.5 ml CDCl₃
o-toluidine

    Assign.     Shift(ppm)

      A             7.01
      B             7.00
      C             6.676
      D             6.586
      E             3.48
      F             2.090

     Hz     ppm     Int.

   2804.32   7.017    287
   2803.71   7.016    304
   2802.98   7.014    213
   2796.88   6.999    373
   2796.39   6.998    373
   2789.92   6.981    115
   2789.43   6.980    121
   2788.33   6.977     92
   2787.84   6.976     81
   2675.29   6.695    123
   2674.32   6.692    132
   2668.09   6.677    196
   2666.99   6.674    220
   2660.52   6.658     98
   2659.55   6.655    106
   2636.47   6.597    189
   2635.50   6.595    204
   2633.91   6.591     82
   2628.42   6.577    189
   2627.20   6.574    152
   1390.50   3.480    128
    835.57   2.091   1000

in CDCl3