609-72-3

N,N-二甲基鄰甲苯胺(609-72-3)質(zhì)譜(MS)

產(chǎn)品名稱:N,N-二甲基鄰甲苯胺

CAS:609-72-3

分子式:C9H13N

分子量: 135.21

InChI:InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3

InChIKey: JDEJGVSZUIJWBM-UHFFFAOYSA-N

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

Mass

MS-NW-0586          
N,N-dimethyl-o-toluidine
C9H13N              (Mass of molecular ion:    135)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.2
      27.0       2.4
      28.0       1.7
      38.0       1.3
      39.0       8.4
      41.0       2.7
      42.0       8.1
      43.0       1.0
      44.0      11.0
      50.0       2.2
      51.0       6.0
      52.0       2.6
      53.0       1.5
      58.5       1.4
      62.0       1.3
      63.0       4.7
      64.0       1.5
      65.0      15.4
      65.5       1.0
      66.0       2.0
      66.5       4.9
      67.0       1.3
      67.5       1.6
      77.0       8.4
      78.0       3.3
      79.0       2.2
      89.0       3.1
      90.0       1.8
      91.0      30.6
      92.0       5.4
      93.0       3.3
     103.0       1.1
     104.0      16.5
     105.0       5.0
     106.0       2.8
     117.0       3.8
     118.0      22.1
     119.0       9.1
     120.0      69.3
     121.0       7.8
     132.0       3.3
     134.0      82.3
     135.0     100.0
     136.0       9.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
N,N-dimethyl-o-toluidine

    Assign.     Shift(ppm)

      A             7.14
      B             7.13
      C             7.008
      D             6.925
      E             2.667
      F             2.315

     Hz     ppm     Int.

   2856.57   7.148     70
   2855.96   7.147    100
   2855.35   7.145     82
   2854.25   7.142     61
   2853.52   7.141     54
   2849.49   7.130    106
   2849.00   7.129    106
   2848.39   7.128    120
   2847.78   7.126    110
   2846.80   7.124     79
   2846.07   7.122     64
   2842.65   7.113     53
   2842.04   7.112     55
   2841.55   7.111     39
   2840.94   7.109     35
   2840.33   7.108     30
   2804.57   7.018     82
   2803.59   7.016     85
   2796.26   6.997     57
   2794.92   6.994     54
   2775.02   6.944     53
   2774.05   6.942     49
   2767.82   6.926     72
   2766.60   6.923     80
   2760.62   6.908     36
   2760.25   6.907     36
   2759.28   6.905     36
   1065.92   2.668   1000
    925.05   2.315    490

in CDCl3