637-53-6

硫代乙酰苯胺(637-53-6)質譜(MS)

產品名稱:硫代乙酰苯胺

CAS:637-53-6

分子式:C8H9NS

分子量: 151.23

InChI:InChI=1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)

InChIKey: MWCGLTCRJJFXKR-UHFFFAOYSA-N

Smiles:C(NC1=CC=CC=C1)(=S)C

Mass

MS-NW-4859          
thioacetanilide
C8H9NS              (Mass of molecular ion:    151)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.7
      26.0       2.0
      27.0       4.2
      28.0       3.0
      32.0       1.7
      33.0       1.2
      34.0       1.3
      37.0       3.6
      38.0       7.2
      39.0      19.2
      40.0       3.8
      41.0       3.7
      42.0      19.9
      43.0       2.6
      45.0       3.9
      49.0       1.7
      50.0      15.7
      51.0      39.7
      52.0       6.6
      53.0       1.0
      54.0       1.4
      57.0       2.0
      58.0       8.1
      59.0      69.4
      60.0       3.0
      61.0       4.9
      62.0       3.7
      63.0       8.7
      64.0       4.8
      65.0      20.1
      66.0      16.9
      67.0       2.3
      69.0       2.7
      73.0       1.5
      74.0       5.9
      74.5       1.5
      75.0       4.6
      75.5       1.3
      76.0       4.9
      77.0      78.8
      78.0       9.3
      83.0       1.1
      84.0       1.4
      89.0       2.4
      90.0       2.4
      91.0       7.3
      92.0       6.5
      93.0     100.0
      94.0       7.3
     103.0       1.2
     104.0       2.6
     106.0       1.1
     108.0       2.3
     109.0      18.6
     110.0      41.2
     111.0       4.0
     112.0       2.1
     116.0       1.5
     117.0      25.9
     118.0      43.6
     119.0       4.4
     124.0       1.2
     135.0       3.3
     136.0       5.2
     149.0       1.7
     150.0      67.4
     151.0      89.0
     152.0      11.4
     153.0       4.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ N S	0.035 g : 0.5 ml CDCl₃
thioacetanilide

    Assign.     Shift(ppm)

      A     *1     10.0
      B     *1      9.2
      C     *2      7.633
      D     *3      7.42
      E     *3      7.37
      F     *4      7.34
      G     *4      7.249
      J     *2      7.150
      K     *5      2.683
      L     *5      2.493
     
     ABUNDANT FORM UNCERTAIN.

     Hz     ppm     Int.

   3056.34   7.648    132
   3054.96   7.645    169
   3053.13   7.640     54
   3048.71   7.629    105
   3047.64   7.626    174
   3046.57   7.624    160
   2973.48   7.441     38
   2972.41   7.438     55
   2965.24   7.420    140
   2963.71   7.416     80
   2958.98   7.404     52
   2957.46   7.401    107
   2954.86   7.394     33
   2954.10   7.392     35
   2952.12   7.387    103
   2950.29   7.383     48
   2944.79   7.369    188
   2943.42   7.365    119
   2941.28   7.360     82
   2940.06   7.357     55
   2938.23   7.353     66
   2936.55   7.348    139
   2934.11   7.342     85
   2904.21   7.267     50
   2903.14   7.265     79
   2901.92   7.262     49
   2897.34   7.250     42
   2895.66   7.246    103
   2893.98   7.242     34
   2888.18   7.227     43
   2862.09   7.162    106
   2860.72   7.159    149
   2858.58   7.153     40
   2854.77   7.144     62
   2853.55   7.141    108
   2852.94   7.139     98
   2852.48   7.138     98
   1072.54   2.684   1000
    996.40   2.494    813

in CDCl3