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MassMS-NW-6180 dibenzothiophene C12H8S (Mass of molecular ion: 184)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
39.0 1.2 63.0 1.7 69.0 1.9 74.0 1.1 75.0 1.1 79.0 4.7 89.0 1.0 91.0 2.1 92.0 7.8 92.5 1.1 113.0 1.3 114.0 1.2 115.0 1.0 138.0 1.4 139.0 10.8 140.0 2.0 151.0 1.3 152.0 6.0 158.0 1.3 182.0 1.7 183.0 4.3 184.0 100.0 185.0 14.6 186.0 5.6
parameter in benzene-d6
parameter in CDCl3
400 MHz in CDCl3
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1H NMR 300 MHz C12 H8 S 5 wt% in benzene-d6 dibenzothiophene 
Parameter ppm Hz
D(A) 7.839 D(B) 7.164 D(C) 7.121 D(D) 7.526 J(A,B) 8.07 J(A,C) 1.09 J(A,D) 0.71 J(B,C) 7.13 J(B,D) 1.21 J(C,D) 7.95 BALKAU,F. ET AL. AUST.J.CHEM. 24, 2293 (1971)
Hz ppm Int.2364.29 7.881 13 2356.68 7.856 429 2356.03 7.853 462 2354.78 7.849 619 2349.36 7.831 402 2348.19 7.827 506 2347.57 7.825 537 2346.90 7.823 479 2339.99 7.800 17 2269.59 7.565 13 2262.83 7.543 421 2262.16 7.541 459 2261.37 7.538 438 2260.22 7.534 372 2255.09 7.517 665 2253.69 7.512 508 2253.04 7.510 478 2245.56 7.485 17 2158.24 7.194 204 2156.73 7.189 257 2151.10 7.170 634 2149.59 7.165 554 2143.65 7.145 904 2141.63 7.139 1000 2135.71 7.119 554 2134.33 7.114 612 2128.56 7.095 228 2127.19 7.091 184
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1H NMR 300 MHz C12 H8 S 5 wt% in CDCl3 dibenzothiophene Parameter ppm Hz
D(A) 8.078 D(B) 7.367 D(C) 7.367 D(D) 7.773 J(A,B) 8.06 J(A,C) 1.16 J(A,D) 0.71 J(B,C) 7.17 J(B,D) 1.14 J(C,D) 8.05 BALKAU,F. & HEFFERNAN,M.L. AUST.J.CHEM. 24, 2293 (1971)
Hz ppm Int.2432.37 8.108 42 2431.69 8.106 44 2428.40 8.095 281 2427.77 8.093 286 2425.13 8.084 269 2424.61 8.082 272 2422.47 8.075 257 2421.72 8.072 259 2419.19 8.064 308 2418.56 8.062 308 2415.23 8.051 52 2414.64 8.049 50 2340.96 7.803 39 2340.22 7.801 41 2336.95 7.790 274 2336.32 7.788 274 2333.73 7.779 261 2333.13 7.777 260 2330.99 7.770 266 2330.31 7.768 263 2327.76 7.759 321 2327.13 7.757 315 2323.75 7.746 56 2323.23 7.744 54 2218.55 7.395 159 2214.59 7.382 1000 2211.39 7.371 845 2208.61 7.362 818 2205.40 7.351 890 2201.44 7.338 129
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1H NMR 399.65 MHz C12 H8 S 12.5 mg : 0.5 ml CDCl3 dibenzothiophene Assign. Shift(ppm)
A 8.155 B 7.853 C 7.45 D 7.45
Hz ppm Int.3267.94 8.178 42 3267.21 8.176 40 3263.92 8.167 255 3263.31 8.166 242 3260.62 8.159 249 3260.13 8.158 218 3258.06 8.153 229 3257.32 8.151 218 3254.76 8.145 280 3254.15 8.143 246 3250.73 8.134 49 3250.12 8.133 43 3147.71 7.877 43 3146.85 7.875 46 3143.55 7.866 288 3142.94 7.865 252 3140.38 7.858 268 3139.65 7.857 218 3137.70 7.852 253 3136.96 7.850 252 3134.40 7.843 317 3133.79 7.842 287 3130.37 7.833 60 3129.76 7.832 52 2987.30 7.475 159 2986.45 7.473 41 2985.84 7.472 43 2983.28 7.465 1000 2980.10 7.457 797 2977.29 7.450 785 2974.12 7.442 952 2972.29 7.438 60 2970.21 7.433 140
in CDCl3
KBr disc
nujol mull
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