1,2-DIBENZOYLBENZENE(1159-86-0) IR2
Product Name1,2-DIBENZOYLBENZENE
CAS1159-86-0
Molecular FormulaC20H14O2
Molecular Weight286.32
InChIInChI=1S/C20H14O2/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-14H
InChIKey OJLABXSUFRIXFL-UHFFFAOYSA-N
SmilesC1(C(C2=CC=CC=C2)=O)=CC=CC=C1C(C1=CC=CC=C1)=O
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MassMS-NW-5663 o-dibenzoylbenzene C20H14O2 (Mass of molecular ion: 286)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 3.9 39.0 3.8 43.0 1.5 50.0 13.6 51.0 38.8 52.0 2.3 62.0 1.3 63.0 2.9 74.0 4.6 75.0 6.1 76.0 15.0 77.0 100.0 78.0 7.7 86.0 1.2 87.0 1.4 99.0 1.0 101.0 1.3 102.0 1.1 104.0 3.0 105.0 57.7 106.0 4.7 126.0 3.2 127.0 3.9 150.0 2.5 151.0 8.7 152.0 33.7 153.0 14.5 154.0 1.8 163.0 1.0 165.0 4.0 180.0 3.1 181.0 6.6 182.0 1.1 193.0 2.1 209.0 72.1 210.0 11.1 211.0 1.2 239.0 1.1 241.0 1.2 242.0 1.0 257.0 2.7 258.0 1.1 270.0 1.7 286.0 33.6 287.0 7.3 288.0 1.0
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C20 H14 O2 0.044 g : 0.5 ml CDCl3 o-dibenzoylbenzene 
Assign. Shift(ppm)
A 7.686 B 7.60 C 7.43 D 7.34 400MHZ. : HSP-40-395
Hz ppm Int.694.44 7.754 105 692.75 7.736 130 691.88 7.726 56 691.19 7.718 53 690.63 7.712 60 688.88 7.692 52 686.69 7.668 169 685.38 7.653 89 684.69 7.646 222 683.75 7.635 72 680.75 7.602 1000 678.94 7.581 61 678.38 7.575 51 677.44 7.565 36 673.13 7.516 62 672.38 7.508 92 669.63 7.477 41 668.13 7.461 105 666.31 7.440 136 665.06 7.426 163 664.38 7.419 217 662.75 7.401 96 660.06 7.371 70 658.75 7.356 69 657.56 7.343 107 657.13 7.338 138 655.81 7.323 42 651.13 7.271 47 649.38 7.251 59 648.44 7.241 42
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1H NMR 399.65 MHz C20 H14 O2 0.045 g : 0.5 ml CDCl3 o-dibenzoylbenzene Assign. Shift(ppm)
A 7.701 B 7.61 C 7.498 D 7.365 90MHZ. : HSP-03-258
Hz ppm Int.3084.23 7.718 101 3082.52 7.714 472 3081.91 7.712 397 3081.30 7.710 655 3080.08 7.707 265 3079.59 7.706 228 3076.17 7.698 203 3074.22 7.693 698 3072.88 7.689 671 3068.97 7.680 32 3051.03 7.635 40 3049.68 7.631 64 3049.32 7.630 67 3047.85 7.627 57 3046.75 7.624 55 3046.02 7.622 71 3045.29 7.620 63 3045.04 7.620 63 3043.58 7.616 149 3041.63 7.611 393 3041.02 7.610 510 3040.04 7.607 958 3039.43 7.606 1000 3038.57 7.604 559 3035.89 7.597 131 3034.06 7.592 46 3033.57 7.591 49 3032.23 7.588 30 3031.49 7.586 37 3030.27 7.583 50 3029.91 7.582 48 3006.23 7.523 96 3005.00 7.520 185 3003.66 7.516 115 2999.39 7.506 131 2998.29 7.503 189 2997.56 7.501 369 2996.70 7.499 185 2995.73 7.496 149 2994.14 7.492 37 2993.65 7.491 35 2991.46 7.486 177 2990.11 7.482 298 2988.77 7.479 154 2956.18 7.397 30 2955.08 7.395 42 2953.86 7.392 50 2953.25 7.390 45 2952.88 7.389 47 2951.29 7.385 123 2949.71 7.381 479 2948.12 7.377 230 2946.53 7.373 66 2942.26 7.363 551 2941.65 7.361 625 2940.55 7.358 225 2937.99 7.352 48 2936.16 7.347 148 2934.45 7.343 336 2933.84 7.342 257 2932.86 7.339 99
in CDCl3
KBr disc
nujol mull
