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Back ChemicalBook Home>CAS DataBase List>5108-96-3More Spectrum> Ammonium 1-pyrrolidinedithiocarbamate(5108-96-3) IR2

Ammonium 1-pyrrolidinedithiocarbamate(5108-96-3) IR2

Molecular FormulaC5H9NS2.H3N

Molecular Weight164.3

InChIInChI=1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3

InChIKey MDDIUTVUBYEEEM-UHFFFAOYSA-N

SmilesN1(CCCC1)C(=S)S.N


  • Mass

    MS-NW-1972          
    ammonium 1-pyrrolidinecarbodithioate
    C5H12N2S2           (Mass of molecular ion:    164)
    

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

          15.0       3.3
          16.0      11.5
          17.0      18.1
          18.0       3.1
          26.0       2.0
          27.0      12.9
          28.0      20.7
          29.0       7.7
          30.0       6.0
          32.0      10.2
          38.0       2.5
          39.0       9.0
          40.0       2.2
          41.0      15.8
          42.0       8.1
          43.0      31.1
          44.0      12.9
          45.0       5.2
          46.0       1.2
          53.0       2.7
          54.0       3.3
          55.0      51.1
          56.0       3.1
          58.0       2.2
          59.0       2.7
          60.0       5.0
          64.0       2.6
          68.0       4.1
          69.0       1.2
          70.0      29.4
          71.0       9.4
          72.0      77.7
          73.0       3.0
          74.0       3.5
          76.0     100.0
          77.0      10.1
          78.0      10.0
          85.0       3.7
          86.0      17.7
          87.0       1.9
         114.0      66.8
         115.0       7.7
         116.0       3.3
         146.0       2.5
         147.0      80.2
         148.0       6.2
         149.0       7.0
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C5 H12 N2 S2 0.041 g : 0.5 ml DMSO-d6
    ammonium 1-pyrrolidinecarbodithioate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.23 B 3.666 C 1.844

         Hz     ppm     Int.
    

       2887.21   7.225    135
       1487.18   3.722     26
       1481.45   3.707     54
       1465.21   3.667    995
       1441.28   3.607     22
        742.80   1.859    493
        736.45   1.843   1000
        714.11   1.787     26
        712.77   1.784     22
    

in DMSO-d6



KBr disc



nujol mull





Ammonium 1-pyrrolidinedithiocarbamate(5108-96-3) IR2 Atlas of Related Products

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