645-48-7

苯胺基硫脲(645-48-7)红外图谱(IR2)

产品名称:苯胺基硫脲

CAS:645-48-7

分子式:C7H9N3S

分子量: 167.23

InChI:InChI=1S/C7H9N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)

InChIKey: JDXKTOBMLZLCSB-UHFFFAOYSA-N

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

¹HNMR

IR1

IR2

Mass

MS-NW-2425          
1-phenyl(thiosemicarbazide)
C7H9N3S             (Mass of molecular ion:    167)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      13.0       1.9
      16.0       1.1
      17.0       1.3
      18.0       5.9
      26.0       1.8
      27.0       5.4
      28.0      14.0
      29.0       3.2
      32.0       9.1
      33.0       4.5
      34.0       9.8
      37.0       3.1
      38.0       6.5
      39.0      20.5
      40.0       4.9
      41.0       6.8
      42.0      28.3
      43.0      11.4
      45.0       1.1
      46.5       2.7
      48.0       1.1
      50.0       7.0
      51.0      18.6
      52.0       7.3
      53.0       3.0
      54.0       3.5
      58.0       1.5
      59.0      11.9
      60.0      25.0
      61.0       2.6
      62.0       4.3
      63.0       7.3
      64.0       7.4
      65.0      38.1
      66.0      32.5
      67.0       4.2
      74.0       2.1
      75.0       1.6
      76.0       5.5
      77.0      41.6
      78.0      17.3
      79.0       7.2
      80.0       4.9
      81.0       2.2
      90.0       1.0
      91.0      19.1
      92.0      41.7
      93.0     100.0
      94.0       7.6
      97.0       1.1
     105.0       6.6
     106.0       4.6
     107.0      11.2
     108.0      61.1
     109.0       4.7
     110.0       5.1
     124.0       1.2
     125.0       6.2
     131.0       2.7
     133.0       5.2
     150.0       6.8
     167.0      66.7
     168.0       6.3
     169.0       3.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₉ N₃ S	0.041 g : 0.5 ml DMSO-d₆
1-phenyl(thiosemicarbazide)

    Assign.     Shift(ppm)

      A     *1      9.28
      B     *1      7.91
      C     *2      7.79
      D     *2      7.45
      E             7.184
      F             6.774
      G             6.667

     Hz     ppm     Int.

   3710.94   9.286    670
   3160.71   7.909    664
   3113.25   7.790    275
   2988.59   7.479    301
   2879.03   7.204    559
   2877.20   7.200    248
   2871.55   7.186    850
   2870.48   7.183    870
   2863.16   7.165    665
   2714.23   6.792    288
   2706.91   6.774    512
   2699.58   6.755    246
   2669.53   6.680    815
   2668.46   6.677   1000
   2660.83   6.658    934
   2659.91   6.656    777

KBr disc