4-BROMOBENZOPHENONE(90-90-4) 1H NMR
Product Name4-BROMOBENZOPHENONE
CAS90-90-4
Molecular FormulaC13H9BrO
Molecular Weight261.11
InChIInChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKey KEOLYBMGRQYQTN-UHFFFAOYSA-N
SmilesC(C1=CC=C(Br)C=C1)(C1=CC=CC=C1)=O
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MassMS-KW-0089 4-bromobenzophenone C13H9BrO (Mass of molecular ion: 260)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
50.0 8.4 51.0 12.1 63.0 1.4 74.0 3.3 75.0 10.0 76.0 15.7 76.5 2.9 77.0 36.1 78.0 2.4 104.0 2.1 105.0 100.0 106.0 7.8 116.0 3.7 117.0 3.5 151.0 1.5 152.0 3.7 153.0 1.8 155.0 12.6 156.0 1.1 157.0 12.3 181.0 14.3 182.0 2.2 183.0 41.7 184.0 3.5 185.0 40.8 186.0 3.2 260.0 31.8 261.0 5.0 262.0 31.1 263.0 4.5
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C13 H9 Br O 0.045 g : 0.5 ml CDCl3 4-bromobenzophenone 
Assign. Shift(ppm)
A 7.772 B 7.674 C 7.63 D 7.60 E 7.488
Hz ppm Int.3116.09 7.798 33 3114.50 7.794 40 3112.67 7.789 81 3110.96 7.785 352 3109.74 7.782 487 3104.74 7.769 152 3102.78 7.764 533 3101.44 7.761 520 3077.03 7.700 36 3074.71 7.694 85 3072.75 7.689 439 3070.92 7.685 248 3066.16 7.673 274 3064.09 7.667 1000 3057.74 7.652 38 3057.37 7.651 38 3052.37 7.638 206 3050.54 7.634 990 3048.46 7.628 366 3045.90 7.622 117 3043.70 7.616 244 3041.87 7.612 472 3039.31 7.605 145 3037.11 7.600 294 3035.40 7.596 151 3031.01 7.585 125 3029.66 7.581 219 3028.56 7.579 153 3001.10 7.510 94 2999.39 7.506 374 2998.17 7.502 245 2991.82 7.487 561 2985.96 7.472 102 2984.25 7.468 224 2983.76 7.466 199
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1H NMR 89.56 MHz C13 H9 Br O 0.040 g : 0.5 ml CDCl3 4-bromobenzophenone Assign. Shift(ppm)
A 7.78 B 7.66 C 7.63 D 7.56 to 7.45
Hz ppm Int.701.06 7.828 119 699.44 7.810 143 697.81 7.792 76 696.88 7.782 70 695.81 7.770 60 694.00 7.749 189 693.56 7.745 193 691.44 7.721 246 690.19 7.707 77 689.13 7.695 47 688.31 7.686 36 687.25 7.674 49 685.19 7.651 1000 684.69 7.646 905 684.25 7.641 943 682.31 7.619 111 681.31 7.608 131 678.38 7.575 83 677.63 7.567 176 675.75 7.546 377 673.38 7.519 153 671.56 7.499 79 669.75 7.479 83 668.69 7.467 113 668.06 7.460 137 666.13 7.438 33 662.44 7.397 45 659.38 7.363 30
in CDCl3
KBr disc
Nujol
