DIETHYLDITHIOCARBAMIC ACID BENZYL ESTER(3052-61-7) MS
Product NameDIETHYLDITHIOCARBAMIC ACID BENZYL ESTER
CAS3052-61-7
Molecular FormulaC12H17NS2
Molecular Weight239.4
InChIInChI=1S/C12H17NS2/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey SNBMGLUIIGFNFE-UHFFFAOYSA-N
SmilesC(=S)(SCC1=CC=CC=C1)N(CC)CC
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MassMS-IW-6652 benzyl diethyldithiocarbamate C12H17NS2 (Mass of molecular ion: 239)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.9 27.0 3.3 28.0 4.2 29.0 9.2 39.0 3.3 41.0 1.3 42.0 2.4 44.0 33.0 45.0 6.4 51.0 2.1 56.0 5.6 59.0 2.0 60.0 23.6 61.0 3.6 62.0 1.4 63.0 2.1 65.0 9.6 70.0 1.0 71.0 1.8 72.0 79.1 73.0 4.0 77.0 6.4 84.0 1.3 86.0 2.8 88.0 37.1 89.0 4.5 90.0 2.4 91.0 40.5 92.0 4.0 116.0 31.9 117.0 3.0 118.0 3.3 119.5 1.2 121.0 2.0 122.0 1.4 123.0 2.1 147.0 6.5 148.0 100.0 149.0 8.1 150.0 9.0 206.0 2.4 239.0 55.2 240.0 9.0 241.0 5.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H17 N S2 0.05 ml : 0.5 ml CDCl3 benzyl diethyldithiocarbamate 
Assign. Shift(ppm)
A 7.374 B 7.300 C 7.250 D 4.536 E *1 4.028 F *1 3.707 G *2 1.274 J *2 1.257
Hz ppm Int.2953.49 7.391 180 2952.03 7.387 260 2949.95 7.382 85 2946.78 7.374 185 2945.31 7.370 364 2944.70 7.369 347 2944.09 7.367 326 2941.77 7.361 55 2926.15 7.322 132 2924.68 7.319 202 2922.73 7.314 76 2919.80 7.306 94 2917.72 7.301 432 2916.02 7.297 196 2911.74 7.286 136 2910.40 7.283 247 2908.08 7.277 46 2904.30 7.268 113 2902.71 7.264 203 2901.25 7.260 113 2898.32 7.253 66 2896.97 7.249 96 2895.75 7.246 194 2892.70 7.239 43 2889.77 7.231 36 2888.43 7.228 56 1812.99 4.537 1000 1620.85 4.056 59 1613.89 4.039 161 1606.81 4.021 164 1599.73 4.003 65 1492.19 3.734 60 1485.11 3.717 159 1477.91 3.699 161 1470.83 3.681 62 515.99 1.292 206 509.16 1.275 512 502.44 1.258 505 495.48 1.240 196
in CDCl3
liquid film
