89964-93-2

对苯二亚甲基(N,N-二乙基二硫代氨基甲酸酯)(89964-93-2)红外图谱(IR2)

产品名称:对苯二亚甲基(N,N-二乙基二硫代氨基甲酸酯)

CAS:89964-93-2

分子式:C18H28N2S4

分子量: 400.69

InChI:InChI=1S/C18H28N2S4/c1-5-19(6-2)17(21)23-13-15-9-11-16(12-10-15)14-24-18(22)20(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3

InChIKey: CKESHWQHGBKZBB-UHFFFAOYSA-N

Smiles:C1(CSC(=S)N(CC)CC)=CC=C(CSC(=S)N(CC)CC)C=C1

Mass

MS-IW-7349          
p-phenylenedimethylene bis(diethyldithiocarbamate)
C18H28N2S4          (Mass of molecular ion:    400)

   Source Temperature: 180 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      27.0       2.9
      28.0       4.2
      29.0       6.4
      30.0       2.7
      42.0       1.9
      44.0      16.3
      45.0       1.0
      51.0       2.2
      52.0       1.2
      56.0       3.6
      58.0       3.5
      59.0       2.1
      60.0      14.0
      61.0       1.7
      64.0       2.5
      72.0      15.8
      73.0       1.8
      76.0       9.7
      77.0       3.9
      78.0       4.8
      86.0       1.3
      87.0       2.6
      88.0      18.6
      89.0       1.5
      90.0       1.0
      91.0       4.0
     100.0       1.0
     102.0       1.0
     103.0       7.5
     104.0      20.2
     105.0       3.4
     116.0      36.7
     117.0       3.8
     118.0       1.9
     135.0       2.2
     136.0       1.3
     148.0     100.0
     149.0      10.8
     150.0       9.4
     251.0      27.5
     252.0      67.4
     253.0      14.2
     254.0       6.9
     255.0       1.1
     400.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₂₈ N₂ S₄	0.040 g : 0.5 ml CDCl₃
p-phenylenedimethylene bis(diethyldithiocarbamate)

    Assign.     Shift(ppm)

      A             7.331
      B             4.517
      C     *1      4.037
      D     *1      3.722
      E             1.26

     Hz     ppm     Int.

   2929.93   7.332   1000
   1805.42   4.518    800
   1624.27   4.065     34
   1617.31   4.047     91
   1610.23   4.030     92
   1603.15   4.012     35
   1497.56   3.748     33
   1490.48   3.730     87
   1483.40   3.712     88
   1476.56   3.695     33
   1476.32   3.695     33
    518.55   1.298    135
    515.01   1.289    158
    511.60   1.281    276
    507.93   1.271    278
    504.76   1.264    166
    500.98   1.254    136

in CDCl3