2987-53-3

2-氨基茴香硫醚(2987-53-3)Raman光谱

产品名称:2-氨基茴香硫醚

CAS:2987-53-3

分子式:C7H9NS

分子量: 139.22

InChI:InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

InChIKey: WBRPQQSADOCKCH-UHFFFAOYSA-N

Smiles:C1(N)=CC=CC=C1SC

Mass

MS-IW-7539          
o-(methylthio)aniline
C7H9NS              (Mass of molecular ion:    139)

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

      28.0       2.4
      38.0       1.5
      39.0       5.0
      41.0       1.0
      45.0       4.6
      50.0       1.0
      51.0       1.8
      52.0       3.0
      53.0       4.5
      54.0       1.1
      61.5       1.6
      62.0       1.4
      63.0       3.8
      64.0       2.3
      65.0       7.1
      66.0       2.5
      67.0       1.2
      69.0       2.8
      69.5       3.2
      70.0       1.8
      77.0       2.4
      78.0       1.5
      80.0      40.8
      81.0       2.6
      90.0       1.2
      91.0       2.8
      92.0       1.9
      93.0       4.4
      94.0       5.4
      95.0       1.4
      96.0       2.7
      97.0       8.8
     106.0       9.2
     108.0       1.6
     109.0       1.1
     122.0       1.0
     124.0      94.6
     125.0       7.5
     126.0       4.6
     135.0       2.6
     139.0     100.0
     140.0       9.3
     141.0       4.9
     149.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₉ N S	0.05 ml : 0.5 ml CDCl₃
o-(methylthio)aniline

    Assign.     Shift(ppm)

      A             7.318
      B             7.046
      C             6.68
      D             6.64
      E             4.15
      F             2.297

     Hz     ppm     Int.

   2929.81   7.331     89
   2929.44   7.331     88
   2928.22   7.327     95
   2922.12   7.312     96
   2921.75   7.311     96
   2920.53   7.308    102
   2824.71   7.068     67
   2823.24   7.065     68
   2817.38   7.050     89
   2816.77   7.049     93
   2815.80   7.046     88
   2815.31   7.045     85
   2809.45   7.030     88
   2807.86   7.026     82
   2677.73   6.701     69
   2676.39   6.697     82
   2670.41   6.682     92
   2669.07   6.679    110
   2662.72   6.663     68
   2661.38   6.660    105
   2661.01   6.659    120
   2660.52   6.658    120
   2659.67   6.655    100
   2652.95   6.639    101
   2652.59   6.638    105
   2651.61   6.635     96
   2651.25   6.634     87
   1659.42   4.153     31
    918.21   2.298   1000

in CDCl3