9-ACETYLANTHRACENE(784-04-3) IR1
Product Name9-ACETYLANTHRACENE
CAS784-04-3
Molecular FormulaC16H12O
Molecular Weight220.27
InChIInChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3
InChIKey NXXNVJDXUHMAHU-UHFFFAOYSA-N
SmilesC(=O)(C1C2=CC=CC=C2C=C2C=1C=CC=C2)C
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MassMS-NW-6171 9-acetylanthracene C16H12O (Mass of molecular ion: 220)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
17.0 1.0 18.0 4.2 31.0 1.0 39.0 1.6 43.0 3.6 44.0 2.3 50.0 1.8 51.0 2.4 62.0 2.1 63.0 4.3 74.0 3.5 75.0 6.6 75.5 1.3 76.0 6.7 77.0 1.8 81.5 1.1 82.0 1.0 82.5 1.5 86.0 1.8 87.0 3.9 87.5 1.8 88.0 18.2 88.5 8.2 89.0 8.6 89.5 1.2 94.0 1.0 94.5 2.6 95.0 1.2 96.0 2.0 98.0 2.3 99.0 2.0 100.0 1.9 101.0 3.1 102.5 2.2 109.0 1.0 110.0 4.2 111.0 1.0 125.0 1.0 126.0 2.5 127.0 1.4 139.0 1.3 149.0 1.6 150.0 8.8 151.0 14.8 152.0 6.0 153.0 1.1 163.0 1.5 165.0 1.4 174.0 3.7 175.0 6.0 176.0 39.4 177.0 63.8 178.0 83.9 179.0 12.7 180.0 1.5 187.0 1.0 189.0 4.3 190.0 1.5 191.0 3.6 192.0 3.0 200.0 1.2 201.0 1.0 202.0 3.9 203.0 1.1 205.0 100.0 206.0 17.6 207.0 1.8 208.0 1.0 218.0 1.3 219.0 5.3 220.0 82.4 221.0 14.7 222.0 1.7
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C16 H12 O 0.042 g : 0.5 ml CDCl3 9-acetylanthracene 
Assign. Shift(ppm)
A 8.39 B 7.96 C 7.79 D *1 7.46 E *1 7.43 F 2.762
Hz ppm Int.752.00 8.397 72 718.38 8.022 36 717.56 8.013 47 717.00 8.006 39 715.94 7.994 35 715.25 7.987 31 713.00 7.962 52 712.25 7.953 33 711.06 7.940 50 708.56 7.912 58 707.94 7.905 70 707.13 7.896 67 706.63 7.891 47 705.75 7.881 61 704.81 7.870 50 703.38 7.854 32 702.56 7.845 33 702.00 7.839 34 701.25 7.830 45 700.63 7.824 52 698.19 7.796 37 697.06 7.784 49 696.63 7.779 66 695.75 7.769 96 694.81 7.759 52 675.81 7.546 51 671.81 7.502 214 670.94 7.492 156 669.25 7.473 113 668.13 7.461 30 667.13 7.449 104 665.63 7.433 134 663.75 7.412 72 661.56 7.387 168 247.44 2.763 1000
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1H NMR 399.65 MHz C16 H12 O 0.047 g : 0.5 ml CDCl3 9-acetylanthracene Assign. Shift(ppm)
A 8.424 B 7.980 C 7.827 D *1 7.48 E *1 7.45 F 2.781
Hz ppm Int.3366.94 8.425 137 3193.85 7.992 107 3193.12 7.990 118 3191.77 7.987 78 3185.79 7.972 139 3184.08 7.968 129 3134.03 7.842 60 3133.18 7.840 102 3132.08 7.838 134 3131.23 7.835 98 3125.98 7.822 60 3124.76 7.819 109 3123.41 7.816 137 3122.44 7.813 77 2999.76 7.506 59 2998.29 7.503 78 2993.29 7.490 144 2991.70 7.486 151 2989.75 7.481 65 2985.11 7.470 276 2983.15 7.465 281 2978.52 7.453 63 2976.68 7.449 134 2975.46 7.446 133 2973.02 7.440 38 2970.09 7.432 73 2968.87 7.429 58 1114.14 2.788 37 1111.45 2.782 1000
in CDCl3
KBr disc
