DIETHYLAMMONIUM DIETHYLDITHIOCARBAMATE(1518-58-7) IR1

Product NameDIETHYLAMMONIUM DIETHYLDITHIOCARBAMATE

CAS 1518-58-7

Molecular FormulaC9H22N2S2

Molecular Weight222.41

InChIInChI=1S/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3

InChIKey NBGTWXBPCIHUQD-UHFFFAOYSA-N

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

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Mass

MS-NW-1956          
diethylammonium diethyldithiocarbamate
C5H11NS2 C4H11N     (Mass of molecular ion:    222)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       4.1
      18.0       6.8
      26.0       2.0
      27.0      11.0
      28.0      13.4
      29.0      14.7
      30.0      79.7
      31.0       1.1
      32.0       6.0
      38.0       3.2
      40.0       1.1
      41.0       2.7
      42.0       8.7
      43.0       2.2
      44.0      26.4
      56.0       5.5
      57.0       1.3
      58.0     100.0
      59.0       3.8
      72.0      14.6
      73.0      25.3
      74.0       1.3
      76.0      83.4
      77.0       2.2
      78.0       7.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₂₂ N₂ S₂	0.048 g : 0.5 ml CDCl₃
diethylammonium diethyldithiocarbamate

    Assign.     Shift(ppm)

      A             8.93
      B             4.097
      C             3.196
      D             1.396
      E             1.265

     Hz     ppm     Int.

    799.94   8.932    344
    377.94   4.220     84
    370.81   4.141    297
    363.81   4.063    314
    356.75   3.984     97
    297.94   3.327    102
    290.44   3.243    407
    283.13   3.162    440
    275.88   3.081    133
    132.00   1.474    443
    124.88   1.395   1000
    120.00   1.340    374
    117.38   1.311    391
    113.06   1.263    871
    105.88   1.183    318

in CDCl3