2302-88-7

1-ACETYL-3-THIOSEMICARBAZIDE(2302-88-7) ¹H NMR

Product Name1-ACETYL-3-THIOSEMICARBAZIDE

CAS 2302-88-7

Molecular FormulaC3H7N3OS

Molecular Weight133.17

InChIInChI=1S/C3H7N3OS/c1-2(7)5-6-3(4)8/h1H3,(H,5,7)(H3,4,6,8)

InChIKey NSIMQTOXNOFWBP-UHFFFAOYSA-N

SmilesC(NNC(N)=S)(=O)C

Request For Quotation

1-ACETYL-3-THIOSEMICARBAZIDE(2302-88-7) <sup>1</sup>H NMR
Mass

MS-NW-6324          
1-acetylthiosemicarbazide
C3H7N3OS            (Mass of molecular ion:    133)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      14.0       1.3
      15.0       7.9
      18.0       2.6
      27.0       1.3
      28.0       9.2
      29.0       1.9
      31.0       8.4
      32.0      68.0
      33.0       1.5
      41.0       1.2
      42.0       5.1
      43.0      68.8
      44.0       3.7
      45.0       1.4
      47.0       1.3
      48.0       1.7
      56.0       1.5
      57.0       1.2
      58.0       3.0
      59.0       3.8
      60.0      39.9
      61.0       1.9
      62.0       2.1
      74.0      35.1
      75.0       1.6
      91.0      14.5
     100.0      15.6
     116.0       7.7
     133.0     100.0
     134.0       5.7
     135.0       4.9

400 MHz in DMSO-d6

1-ACETYL-3-THIOSEMICARBAZIDE(2302-88-7) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₃ H₇ N₃ O S	0.039 g : 0.5 ml DMSO-d₆
1-acetylthiosemicarbazide

    Assign.     Shift(ppm)

      A     *1      9.72
      B     *1      9.15
      C     *2      7.82
      D     *2      7.48
      E             1.832

     Hz     ppm     Int.

   3883.82   9.719    113
   3657.23   9.152     85
   3124.69   7.819     47
   3124.39   7.818     47
   2989.35   7.480     54
    732.27   1.833   1000
    722.96   1.809    129

in DMSO-d6