5108-96-3

吡咯烷二硫代甲酸銨鹽(5108-96-3)紅外圖譜(IR2)

產(chǎn)品名稱:吡咯烷二硫代甲酸銨鹽

CAS:5108-96-3

分子式:C5H9NS2.H3N

分子量: 164.3

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

InChIKey: MDDIUTVUBYEEEM-UHFFFAOYSA-N

Smiles:N1(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

    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