1752-30-3

丙酮缩氨基硫脲(1752-30-3)质谱(MS)

产品名称:丙酮缩氨基硫脲

CAS:1752-30-3

分子式:C4H9N3S

分子量: 131.2

InChI:InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)

InChIKey: FQUDPIIGGVBZEQ-UHFFFAOYSA-N

Smiles:N(C(N)=S)/N=C(/C)\C

¹HNMR

IR1

IR2

Mass

MS-NW-1525          
acetone thiosemicarbazone
C4H9N3S             (Mass of molecular ion:    131)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.5
      15.0      45.4
      16.0      13.9
      17.0      18.8
      18.0      12.0
      26.0       6.2
      27.0      18.2
      28.0      57.8
      29.0      24.0
      30.0      26.2
      31.0       4.1
      32.0       9.2
      33.0       3.5
      34.0       4.2
      37.0       2.6
      38.0       5.7
      39.0      32.1
      40.0      13.9
      41.0      42.4
      42.0      50.0
      43.0      34.8
      44.0       9.6
      45.0       6.9
      46.0       2.2
      47.0       3.1
      48.0       4.6
      51.0       1.8
      52.0       3.4
      53.0       1.0
      54.0      17.5
      55.0      27.1
      56.0     100.0
      57.0      59.8
      58.0      12.5
      59.0      11.1
      60.0      41.8
      61.0       2.3
      62.0       2.5
      67.0       1.3
      71.0       7.0
      72.0      15.9
      73.0       1.8
      74.0       7.2
      75.0      10.5
      76.0       1.2
      82.0       1.0
      89.0      15.4
      90.0       1.7
      97.0       5.0
      98.0       1.9
      99.0       4.1
     100.0       7.1
     101.0       6.9
     114.0      72.7
     115.0       4.7
     116.0      63.2
     117.0       3.4
     118.0       2.9
     131.0      90.1
     132.0       5.8
     133.0       4.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₉ N₃ S	0.037 g : 0.5 ml DMSO-d₆
acetone thiosemicarbazone

    Assign.     Shift(ppm)

      A             9.90
      B     *1      8.00
      C     *1      7.52
      E     *2      1.925
      F     *2      1.907

     Hz     ppm     Int.

   3959.05   9.907     61
   3194.27   7.993     35
   3004.46   7.518     39
    769.50   1.926   1000
    765.69   1.916     50
    762.02   1.907    998

KBr disc