DIMETHYLDITHIOCARBAMIC ACID ALLYL ESTER(20821-66-3) 1H NMR
Product NameDIMETHYLDITHIOCARBAMIC ACID ALLYL ESTER
CAS20821-66-3
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
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MassMS-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
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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
liquid film
