1,2-BENZOFLUORENE(238-84-6) MS
Product Name1,2-BENZOFLUORENE
CAS238-84-6
Molecular FormulaC17H12
Molecular Weight216.28
InChIInChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2
InChIKey HKMTVMBEALTRRR-UHFFFAOYSA-N
SmilesC1C2=C(C=CC=C2)C2=C1C1=CC=CC=C1C=C2
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MassMS-NW-1242 benzo(a)fluorene C17H12 (Mass of molecular ion: 216)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.9 63.0 1.1 78.0 1.0 81.5 1.2 93.5 2.9 94.0 2.0 94.5 6.6 95.0 1.2 105.5 1.4 106.0 1.7 106.5 6.9 107.0 4.3 107.5 11.2 108.0 8.9 108.5 1.4 163.0 1.3 187.0 2.4 188.0 1.3 189.0 3.7 211.0 1.6 212.0 1.2 213.0 11.9 214.0 3.9 215.0 53.0 216.0 100.0 217.0 17.3 218.0 2.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C17 H12 7.4 mg : 0.5 ml CDCl3 benzo(a)fluorene 
Assign. Shift(ppm)
A 8.009 B 7.912 C 7.911 D 7.873 E 7.829 F 7.626 G 7.539 J 7.463 K 7.408 L 7.325 M 4.179 J(B,D)=8.4HZ. J(E,L)=7.4HZ. J(F,L)=1.2HZ.
Hz ppm Int.3206.67 8.024 118 3205.93 8.022 236 3205.20 8.021 229 3204.71 8.019 249 3203.98 8.017 149 3198.49 8.004 136 3197.63 8.002 262 3197.02 8.000 249 3196.41 7.999 278 3195.68 7.997 166 3168.46 7.929 308 3165.53 7.921 294 3162.11 7.913 63 3160.03 7.907 740 3157.96 7.902 279 3157.35 7.901 298 3156.86 7.900 274 3153.93 7.892 51 3151.73 7.887 47 3149.05 7.880 407 3145.75 7.872 47 3143.31 7.866 47 3140.75 7.859 182 3132.93 7.840 281 3132.08 7.838 224 3126.22 7.823 211 3125.49 7.821 299 3124.39 7.818 230 3052.73 7.639 191 3051.64 7.636 239 3050.78 7.634 202 3049.93 7.632 92 3045.29 7.620 222 3044.56 7.619 270 3043.46 7.616 222 3042.60 7.614 99 3021.61 7.561 160 3020.26 7.558 182 3014.77 7.544 232 3013.43 7.541 333 3012.08 7.537 162 3006.59 7.524 219 3005.25 7.520 211 2989.99 7.482 246 2988.65 7.479 262 2983.15 7.465 183 2981.81 7.462 383 2980.59 7.459 261 2974.98 7.444 173 2973.75 7.441 158 2969.36 7.430 129 2968.75 7.429 129 2968.14 7.427 137 2961.91 7.412 285 2961.30 7.410 262 2960.69 7.409 275 2960.08 7.407 153 2955.08 7.395 96 2954.35 7.393 178 2953.86 7.392 157 2953.25 7.390 168 2952.64 7.389 90 2934.45 7.343 294 2933.23 7.340 310 2927.00 7.324 439 2925.90 7.322 433 2919.56 7.306 177 2918.46 7.303 176 1670.17 4.180 1000
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1H NMR 89.56 MHz C17 H12 0.048 g : 0.5 ml CDCl3 benzo(a)fluorene Assign. Shift(ppm)
A 8.011 B 7.919 C 7.91 D 7.87 E 7.83 F 7.63 G 7.54 J 7.46 K 7.41 L 7.32 M 4.178 THE SHIFT VALUES WERE OBTAINED AT 400MHZ. J(A,G)=8.30HZ. J(B,D)=8.30HZ. J(C,J)=8.1HZ. J(E,K)=7.6HZ. J(E,F)=0.8HZ. J(F,L)=7.45HZ. J(F,K)=1.22HZ. J(A,J)=1.22HZ. J(E,L)=1.22HZ. J(K,M)=0.6HZ
Hz ppm Int.715.75 7.992 82 713.63 7.969 80 713.19 7.964 84 709.75 7.925 137 708.81 7.915 95 707.56 7.901 186 706.13 7.885 171 706.00 7.883 171 701.69 7.835 1000 699.31 7.809 211 695.31 7.764 86 693.44 7.743 132 692.63 7.734 149 682.63 7.623 68 681.81 7.613 78 680.75 7.602 69 679.69 7.590 68 679.00 7.582 59 677.63 7.567 93 675.94 7.548 113 674.88 7.536 92 673.88 7.525 170 672.94 7.514 273 670.56 7.488 279 669.13 7.472 96 666.88 7.447 378 663.00 7.403 263 661.63 7.388 218 661.13 7.382 224 660.31 7.373 138 659.81 7.368 140 658.13 7.349 234 657.06 7.337 97 655.56 7.320 315 652.69 7.288 95 651.38 7.274 144 650.75 7.267 79 649.63 7.254 131 642.63 7.176 93 366.13 4.089 590
in CDCl3
KBr disc
nujol mull
