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Back ChemicalBook Home>CAS DataBase List>2302-88-7More Spectrum> 1-ACETYL-3-THIOSEMICARBAZIDE(2302-88-7) IR1

2302-88-7

1-ACETYL-3-THIOSEMICARBAZIDE(2302-88-7) IR1

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

  • 1-ACETYL-3-THIOSEMICARBAZIDE(2302-88-7) IR1
    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) IR1

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

  • 1-ACETYL-3-THIOSEMICARBAZIDE(2302-88-7) IR1

KBr disc

  • 1-ACETYL-3-THIOSEMICARBAZIDE(2302-88-7) IR1

nujol mull

  • 1-ACETYL-3-THIOSEMICARBAZIDE(2302-88-7) IR1

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