THIOACETANILIDE(637-53-6) 1H NMR
Product NameTHIOACETANILIDE
CAS637-53-6
Molecular FormulaC8H9NS
Molecular Weight151.23
InChIInChI=1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
InChIKey MWCGLTCRJJFXKR-UHFFFAOYSA-N
SmilesC(NC1=CC=CC=C1)(=S)C
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MassMS-NW-4859 thioacetanilide C8H9NS (Mass of molecular ion: 151)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.7 26.0 2.0 27.0 4.2 28.0 3.0 32.0 1.7 33.0 1.2 34.0 1.3 37.0 3.6 38.0 7.2 39.0 19.2 40.0 3.8 41.0 3.7 42.0 19.9 43.0 2.6 45.0 3.9 49.0 1.7 50.0 15.7 51.0 39.7 52.0 6.6 53.0 1.0 54.0 1.4 57.0 2.0 58.0 8.1 59.0 69.4 60.0 3.0 61.0 4.9 62.0 3.7 63.0 8.7 64.0 4.8 65.0 20.1 66.0 16.9 67.0 2.3 69.0 2.7 73.0 1.5 74.0 5.9 74.5 1.5 75.0 4.6 75.5 1.3 76.0 4.9 77.0 78.8 78.0 9.3 83.0 1.1 84.0 1.4 89.0 2.4 90.0 2.4 91.0 7.3 92.0 6.5 93.0 100.0 94.0 7.3 103.0 1.2 104.0 2.6 106.0 1.1 108.0 2.3 109.0 18.6 110.0 41.2 111.0 4.0 112.0 2.1 116.0 1.5 117.0 25.9 118.0 43.6 119.0 4.4 124.0 1.2 135.0 3.3 136.0 5.2 149.0 1.7 150.0 67.4 151.0 89.0 152.0 11.4 153.0 4.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 N S 0.035 g : 0.5 ml CDCl3 thioacetanilide 
Assign. Shift(ppm)
A *1 10.0 B *1 9.2 C *2 7.633 D *3 7.42 E *3 7.37 F *4 7.34 G *4 7.249 J *2 7.150 K *5 2.683 L *5 2.493 ABUNDANT FORM UNCERTAIN.
Hz ppm Int.3056.34 7.648 132 3054.96 7.645 169 3053.13 7.640 54 3048.71 7.629 105 3047.64 7.626 174 3046.57 7.624 160 2973.48 7.441 38 2972.41 7.438 55 2965.24 7.420 140 2963.71 7.416 80 2958.98 7.404 52 2957.46 7.401 107 2954.86 7.394 33 2954.10 7.392 35 2952.12 7.387 103 2950.29 7.383 48 2944.79 7.369 188 2943.42 7.365 119 2941.28 7.360 82 2940.06 7.357 55 2938.23 7.353 66 2936.55 7.348 139 2934.11 7.342 85 2904.21 7.267 50 2903.14 7.265 79 2901.92 7.262 49 2897.34 7.250 42 2895.66 7.246 103 2893.98 7.242 34 2888.18 7.227 43 2862.09 7.162 106 2860.72 7.159 149 2858.58 7.153 40 2854.77 7.144 62 2853.55 7.141 108 2852.94 7.139 98 2852.48 7.138 98 1072.54 2.684 1000 996.40 2.494 813
in CDCl3
CCl4 solution
KBr disc
nujol mull
