13431-36-2

4-ISOPROPYL-3-THIOSEMICARBAZIDE(13431-36-2) ¹³C NMR

Product Name4-ISOPROPYL-3-THIOSEMICARBAZIDE

CAS 13431-36-2

Molecular FormulaC4H11N3S

Molecular Weight133.22

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

InChIKey WMFXGKCDSJXKHO-UHFFFAOYSA-N

SmilesN(C(NC(C)C)=S)N

Request For Quotation

4-ISOPROPYL-3-THIOSEMICARBAZIDE(13431-36-2) <sup>13</sup>C NMR
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

4-ISOPROPYL-3-THIOSEMICARBAZIDE(13431-36-2) <sup>13</sup>C NMR

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