20821-66-3

二甲基二硫代氨基甲酸烯丙酯(20821-66-3)質(zhì)譜(MS)

產(chǎn)品名稱:二甲基二硫代氨基甲酸烯丙酯

CAS:20821-66-3

分子式:C6H11NS2

分子量: 161.29

InChI:InChI=1S/C6H11NS2/c1-4-5-9-6(8)7(2)3/h4H,1,5H2,2-3H3

InChIKey: ZFMLVJCASVPGIT-UHFFFAOYSA-N

Smiles:C(=S)(SCC=C)N(C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9479          
allyl dimethyldithiocarbamate
C6H11NS2            (Mass of molecular ion:    161)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.5
      18.0       2.7
      28.0       2.0
      39.0       5.7
      41.0       7.6
      42.0       9.1
      43.0       1.9
      44.0      27.7
      45.0       3.8
      47.0       2.5
      56.0       2.1
      72.0       2.8
      73.0       6.5
      74.0       7.2
      76.0       2.3
      77.0       7.7
      88.0     100.0
      89.0       6.2
      90.0       4.7
     120.0      15.2
     121.0       1.1
     122.0       1.4
     128.0       1.4
     146.0       7.1
     161.0      30.3
     162.0       2.7
     163.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₁ N S₂	0.05 ml : 0.5 ml CDCl₃
allyl dimethyldithiocarbamate

    Assign.     Shift(ppm)

      A             5.918
      B             5.304
      C             5.145
      D             3.970
      E     *1      3.538
      F     *1      3.370

     Hz     ppm     Int.

   2386.47   5.972    121
   2379.39   5.954    252
   2376.34   5.947    132
   2372.44   5.937    135
   2369.38   5.929    392
   2362.43   5.912    410
   2359.38   5.904    155
   2355.47   5.894    150
   2352.42   5.887    302
   2345.46   5.869    152
   2129.88   5.330    181
   2128.54   5.327    439
   2127.08   5.323    436
   2125.73   5.319    173
   2112.92   5.287    156
   2111.57   5.284    381
   2110.11   5.280    383
   2108.64   5.277    156
   2062.99   5.162    203
   2062.13   5.160    379
   2061.16   5.158    321
   2060.67   5.157    352
   2059.69   5.154    181
   2052.98   5.137    187
   2052.12   5.135    348
   2051.15   5.133    305
   2050.66   5.132    334
   2049.68   5.129    176
   1591.55   3.983    643
   1590.33   3.980    808
   1589.23   3.977    551
   1584.47   3.965    600
   1583.25   3.962    796
   1582.15   3.959    556
   1414.31   3.539   1000
   1346.80   3.370    991

in CDCl3