Disulfiram(97-77-8) MS

Product NameDisulfiram

CAS 97-77-8

Molecular FormulaC10H20N2S4

Molecular Weight296.54

InChIInChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3

InChIKey AUZONCFQVSMFAP-UHFFFAOYSA-N

SmilesN(CC)(CC)C(=S)SSC(=S)N(CC)CC

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Mass

MS-NW-0179          
N,N,N',N'-tetraethylthiuram disulfide
C10H20N2S4          (Mass of molecular ion:    296)

   Source Temperature: 210 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       3.0
      27.0      11.1
      28.0       7.2
      29.0      24.3
      30.0       1.4
      42.0       6.4
      44.0      31.2
      45.0       1.8
      54.0       1.0
      56.0       5.0
      59.0       4.8
      60.0      36.0
      61.0       3.3
      62.0       1.5
      64.0       2.1
      70.0       1.0
      72.0      15.8
      76.0       2.1
      77.0       8.5
      86.0       5.2
      87.0       1.0
      88.0      55.1
      89.0       2.4
      90.0       2.4
      91.0       1.9
      92.0       1.3
     116.0     100.0
     117.0       6.9
     118.0       4.8
     148.0      24.2
     149.0       4.5
     150.0       2.4
     180.0       1.3
     212.0       1.0
     296.0      17.9
     297.0       2.6
     298.0       3.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₂₀ N₂ S₄	0.042 g : 0.5 ml CDCl₃
N,N,N',N'-tetraethylthiuram disulfide

    Assign.     Shift(ppm)

      A             4.021
      B             1.382
     
     J(A,B)=7.1HZ

     Hz     ppm     Int.

    371.25   4.146    158
    364.06   4.065    609
    356.94   3.986    649
    350.00   3.908    194
    130.75   1.460    494
    123.69   1.382   1000
    119.00   1.329     45
    116.50   1.301    432

in CDCl3