Product Name4-Acetyl-4'-bromobiphenyl
CAS5731-01-1
Molecular FormulaC14H11BrO
Molecular Weight275.14
InChIInChI=1S/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3
InChIKey UUVKNCRMWPNBNM-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C
Mass
MS-IW-9333 4'-(p-bromophenyl)acetophenone C14H11BrO (Mass of molecular ion: 274)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 3.1 39.0 1.8 43.0 19.3 50.0 4.6 51.0 4.9 62.0 2.7 63.0 9.5 74.0 4.5 75.0 10.2 75.5 4.9 76.0 42.9 76.5 5.5 77.0 2.5 82.0 2.5 82.5 1.7 83.0 1.6 86.0 1.3 87.0 1.9 88.0 1.0 90.0 2.7 98.0 1.8 99.0 2.1 100.0 1.1 101.0 3.1 102.0 2.7 113.0 1.0 123.0 2.1 124.0 2.0 125.0 2.3 126.0 6.9 127.0 1.1 129.5 8.8 130.0 1.4 130.5 8.7 131.0 1.4 150.0 9.2 151.0 17.8 152.0 100.0 153.0 13.7 165.0 3.3 180.0 1.6 181.0 1.2 223.0 1.2 231.0 3.9 232.0 1.2 233.0 3.9 259.0 86.4 260.0 12.7 261.0 84.9 262.0 12.1 263.0 1.1 274.0 44.0 275.0 7.0 276.0 42.7 277.0 6.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C14 H11 Br O | 0.041 g : 0.5 ml CDCl3 |
4'-(p-bromophenyl)acetophenone |
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Assign. Shift(ppm) |
Hz ppm Int.
3211.43 8.036 38 3209.47 8.031 202 3208.98 8.030 140 3207.52 8.026 70 3202.88 8.015 74 3200.81 8.010 229 3198.97 8.005 36 3056.15 7.648 43 3054.32 7.643 227 3052.25 7.638 74 3047.61 7.626 72 3045.65 7.621 207 3043.70 7.616 35 3034.79 7.594 193 3032.71 7.589 71 3028.20 7.578 83 3026.00 7.572 272 3023.68 7.566 42 2994.38 7.493 44 2991.94 7.487 271 2989.87 7.482 79 2985.23 7.470 66 2983.15 7.465 183 1053.47 2.636 39 1050.66 2.629 1000
in CDCl3
KBr disc
nujol mull
4-Acetyl-4'-bromobiphenyl(5731-01-1) 1H NMR Atlas of Related Products
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