2,3-BENZOFLUORENE(243-17-4) Raman
Product Name2,3-BENZOFLUORENE
CAS243-17-4
Molecular FormulaC17H12
Molecular Weight216.28
InChIInChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2
InChIKey HAPOJKSPCGLOOD-UHFFFAOYSA-N
SmilesC1C2=C(C=CC=C2)C2=C1C=C1C=CC=CC1=C2
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MassMS-NW-0120 11H-benzo(b)fluorene C17H12 (Mass of molecular ion: 216)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
93.5 2.1 94.0 1.4 94.5 4.5 106.0 1.2 106.5 4.7 107.0 3.5 107.5 9.6 108.0 8.3 108.5 1.3 163.0 1.4 187.0 2.5 188.0 1.5 189.0 3.3 211.0 1.8 212.0 1.3 213.0 13.5 214.0 4.5 215.0 72.1 216.0 100.0 217.0 17.5 218.0 2.3
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C17 H12 0.020 g : 0.5 ml CDCl3 11H-benzo(b)fluorene 
Assign. Shift(ppm)
A 8.170 B 8.04 to 7.73 C 7.63 to 7.28 D 4.051 400MHZ : HSP-40-346
Hz ppm Int.731.81 8.172 706 717.94 8.017 70 717.56 8.013 73 716.75 8.004 72 713.13 7.963 332 710.19 7.930 812 708.75 7.914 621 707.81 7.904 489 707.00 7.895 422 706.13 7.885 335 705.63 7.879 381 704.25 7.864 555 701.06 7.828 232 700.56 7.823 218 697.25 7.786 256 693.63 7.745 75 681.25 7.607 121 680.38 7.597 142 679.56 7.588 103 679.06 7.583 119 678.06 7.572 120 676.94 7.559 122 676.81 7.558 122 674.88 7.536 312 673.94 7.526 235 673.25 7.518 208 672.38 7.508 372 670.94 7.492 891 667.94 7.459 417 667.25 7.451 436 664.81 7.424 660 664.31 7.418 559 662.31 7.396 748 661.38 7.385 660 659.19 7.361 846 657.50 7.342 114 655.69 7.322 421 653.75 7.300 285 362.88 4.052 1000
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1H NMR 399.65 MHz C17 H12 19.9 mg : 0.5 ml CDCl3 11H-benzo(b)fluorene Assign. Shift(ppm)
A 8.179 B 7.93 C 7.92 D 7.841 E 7.553 F *1 7.46 G *1 7.44 J 7.408 K 7.346 L 4.057
Hz ppm Int.3268.80 8.180 697 3173.22 7.940 56 3169.68 7.932 706 3168.09 7.928 777 3160.28 7.908 515 3155.27 7.896 43 3154.30 7.893 45 3153.93 7.892 44 3141.11 7.860 35 3138.79 7.854 198 3134.40 7.843 101 3134.03 7.842 103 3132.32 7.838 168 3129.27 7.831 219 3126.10 7.823 45 3023.56 7.566 208 3022.71 7.564 261 3021.73 7.561 203 3019.29 7.555 41 3016.11 7.547 256 3015.14 7.545 305 3014.40 7.543 237 2990.97 7.484 49 2988.77 7.479 105 2984.01 7.467 351 2982.18 7.462 588 2978.39 7.453 677 2974.61 7.444 536 2972.66 7.439 320 2967.90 7.427 227 2965.82 7.422 83 2964.11 7.417 38 2961.18 7.410 305 2960.45 7.408 286 2959.96 7.407 284 2955.93 7.397 33 2953.74 7.391 211 2953.13 7.390 190 2952.39 7.388 183 2942.63 7.364 281 2941.28 7.360 325 2937.87 7.352 36 2937.50 7.351 35 2935.18 7.345 386 2933.96 7.342 379 2927.86 7.327 147 2926.64 7.324 135 1621.58 4.058 1000
in CDCl3
KBr disc
nujol mull
