2-PHENYL-1,3-DITHIANE(5425-44-5) 1H NMR
Product Name2-PHENYL-1,3-DITHIANE
CAS5425-44-5
Molecular FormulaC10H12S2
Molecular Weight196.33
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MassMS-NW-7986 2-phenyl-1,3-dithiane C10H12S2 (Mass of molecular ion: 196)
Source Temperature: 120 °C Sample Temperature: 80 °C Direct, 75 eV
18.0 1.6 27.0 2.1 39.0 7.1 41.0 6.5 42.0 1.2 44.0 1.1 45.0 26.2 46.0 9.4 47.0 2.7 50.0 1.7 51.0 6.9 52.0 1.4 59.0 1.0 62.0 1.2 63.0 4.1 64.0 1.0 65.0 1.7 69.0 2.5 71.0 1.4 73.0 10.6 74.0 17.0 75.0 2.8 76.0 1.1 77.0 14.3 78.0 10.8 79.0 1.4 89.0 4.0 90.0 1.0 91.0 15.2 92.0 1.3 98.0 1.2 103.0 1.1 104.0 1.4 105.0 26.1 106.0 2.0 107.0 2.4 115.0 4.5 116.0 4.4 117.0 10.6 118.0 1.4 119.0 2.1 121.0 61.5 122.0 79.6 123.0 14.7 124.0 4.2 129.0 2.8 130.0 1.7 131.0 34.8 132.0 4.3 134.0 2.3 135.0 10.2 136.0 2.7 149.0 6.5 153.0 8.0 154.0 1.7 155.0 1.0 163.0 2.1 195.0 1.3 196.0 100.0 197.0 12.8 198.0 9.4 199.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 S2 0.045 g : 0.5 ml CDCl3 2-phenyl-1,3-dithiane 
Assign. Shift(ppm)
A 7.466 B 7.331 C 7.292 D 5.161 E 3.035 F 2.891 G 2.140 J 1.916
Hz ppm Int.2989.26 7.480 408 2987.30 7.475 577 2985.47 7.471 177 2982.30 7.463 331 2980.59 7.459 685 2979.61 7.456 645 2977.05 7.450 89 2939.21 7.355 205 2937.38 7.350 273 2935.55 7.346 132 2932.98 7.339 130 2932.62 7.338 129 2930.54 7.333 844 2929.08 7.330 320 2924.68 7.319 279 2923.34 7.315 578 2919.92 7.307 293 2918.33 7.303 536 2916.75 7.299 282 2914.06 7.292 150 2911.25 7.285 370 2907.96 7.277 81 2905.52 7.271 72 2904.05 7.267 114 2902.71 7.264 56 2062.87 5.162 1000 1230.71 3.080 213 1228.15 3.074 231 1218.26 3.049 242 1217.04 3.046 284 1215.94 3.043 502 1214.72 3.040 311 1213.62 3.037 355 1204.71 3.015 188 1203.74 3.012 385 1202.27 3.009 211 1201.29 3.006 357 1164.92 2.915 278 1161.74 2.907 358 1160.77 2.905 433 1157.59 2.897 324 1150.39 2.879 197 1147.22 2.871 279 1146.36 2.869 240 1142.94 2.860 199 870.61 2.179 44 868.04 2.173 95 866.09 2.168 107 863.65 2.162 183 861.21 2.155 110 859.25 2.151 95 856.57 2.144 102 853.88 2.137 128 852.05 2.132 154 849.49 2.126 245 847.05 2.120 144 845.09 2.115 128 842.53 2.109 59 786.99 1.970 62 783.94 1.962 129 780.76 1.954 71 774.66 1.939 104 772.83 1.934 71 771.48 1.931 243 769.78 1.927 118 768.55 1.924 120 766.72 1.919 61 762.21 1.908 64 760.50 1.903 89 759.16 1.900 127 757.45 1.896 190 756.10 1.892 77 754.39 1.888 86 748.17 1.873 47 745.00 1.865 85 741.94 1.857 44
in CDCl3
KBr disc
nujol mull
