13431-36-2

4-異丙基-3-氨基硫脲(13431-36-2)質(zhì)譜(MS)

產(chǎn)品名稱:4-異丙基-3-氨基硫脲

CAS:13431-36-2

分子式:C4H11N3S

分子量: 133.22

InChI:InChI=1S/C4H11N3S/c1-3(2)6-4(8)7-5/h3H,5H2,1-2H3,(H2,6,7,8)

InChIKey: WMFXGKCDSJXKHO-UHFFFAOYSA-N

Smiles:N(C(NC(C)C)=S)N

Mass

MS-IW-9189          
4-isopropyl-3-thiosemicarbazide
C4H11N3S            (Mass of molecular ion:    133)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.2
      17.0       3.1
      18.0      11.9
      27.0      14.0
      28.0      11.3
      29.0       1.9
      30.0       2.7
      31.0      11.8
      32.0     100.0
      33.0       1.5
      39.0       7.9
      40.0       2.0
      41.0      29.7
      42.0      17.9
      43.0      76.3
      44.0      12.1
      45.0       3.4
      47.0       1.2
      48.0       1.6
      56.0       1.2
      57.0       8.2
      58.0      59.6
      59.0       7.3
      60.0      42.3
      61.0       1.7
      62.0       2.2
      69.0       1.2
      74.0       2.0
      75.0       4.8
      83.0      10.3
      84.0       1.1
      86.0       1.7
     100.0       1.6
     101.0       3.5
     102.0       2.9
     103.0       1.5
     115.0       6.2
     116.0      12.8
     117.0       2.8
     118.0       2.3
     133.0      73.6
     134.0       6.3
     135.0       3.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₁₁ N₃ S	0.039 g : 0.5 ml CDCl₃
4-isopropyl-3-thiosemicarbazide

    Assign.     Shift(ppm)

      A             8.21
      B             7.29
      C             4.501
      D             3.90
      E             1.250

     Hz     ppm     Int.

   3282.71   8.214     61
   2917.36   7.300     25
   2910.28   7.283     25
   1808.96   4.527     30
   1802.49   4.511     42
   1800.42   4.505     35
   1795.78   4.494     35
   1793.82   4.489     41
   1787.23   4.472     29
   1556.88   3.896    170
    502.93   1.259   1000
    496.46   1.243    979

in CDCl3