Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>20821-66-3More Spectrum> DIMETHYLDITHIOCARBAMIC ACID ALLYL ESTER(20821-66-3) 1H NMR

DIMETHYLDITHIOCARBAMIC ACID ALLYL ESTER(20821-66-3) 1H NMR

Molecular FormulaC6H11NS2

Molecular Weight161.29

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

InChIKey ZFMLVJCASVPGIT-UHFFFAOYSA-N

SmilesC(=S)(SCC=C)N(C)C


  • 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
    ChemicalStructure
        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



liquid film



DIMETHYLDITHIOCARBAMIC ACID ALLYL ESTER(20821-66-3) 1H NMR Atlas of Related Products

×