(E)-1-Phenyl-3-(4-bromophenyl)-2-propene-1-one(22966-09-2) MS
Product Name(E)-1-Phenyl-3-(4-bromophenyl)-2-propene-1-one
CAS22966-09-2
Molecular FormulaC15H11BrO
Molecular Weight287.15
InChIInChI=1S/C15H11BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+
InChIKey JFARWEWTPMAQHW-DHZHZOJOSA-N
SmilesC(C1=CC=CC=C1)(=O)/C=C/C1=CC=C(Br)C=C1
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MassMS-NW-9757 trans-4-bromochalcone C15H11BrO (Mass of molecular ion: 286)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.1 39.0 1.6 50.0 7.1 51.0 17.4 52.0 2.6 62.0 1.1 63.0 3.1 74.0 4.4 75.0 13.0 76.0 18.9 77.0 61.1 78.0 4.7 88.0 2.2 88.5 1.0 89.0 13.7 89.5 12.9 90.0 2.1 101.0 12.0 102.0 66.3 103.0 6.9 103.5 3.8 104.0 1.4 105.0 53.1 106.0 4.2 129.0 1.1 130.0 29.0 131.0 4.8 151.0 1.9 152.0 3.0 155.0 1.3 157.0 1.3 165.0 1.4 176.0 3.7 177.0 3.8 178.0 33.1 179.0 47.2 180.0 7.4 181.0 12.6 182.0 2.6 183.0 12.3 184.0 1.1 189.0 1.4 205.0 1.3 206.0 3.0 207.0 100.0 208.0 16.7 209.0 27.3 210.0 3.0 211.0 26.0 212.0 2.6 258.0 3.7 260.0 3.6 271.0 1.0 285.0 37.4 286.0 84.0 287.0 49.7 288.0 82.4 289.0 13.1 290.0 1.3
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C15 H11 Br O 0.034 g : 0.5 ml CDCl3 trans-4-bromochalcone 
Assign. Shift(ppm)
A 8.012 B 7.730 C 7.586 D 7.54 E 7.52 F 7.50 J(B,E)=15.8HZ. 90MHZ. : HSP-05-092
Hz ppm Int.3208.62 8.029 64 3206.67 8.024 317 3205.93 8.022 275 3205.32 8.021 398 3203.98 8.017 176 3200.44 8.009 124 3198.36 8.003 485 3196.90 8.000 384 3098.63 7.754 236 3082.89 7.714 333 3042.24 7.613 59 3040.89 7.609 107 3039.55 7.606 68 3035.89 7.597 79 3033.57 7.591 223 3031.49 7.586 100 3030.03 7.582 34 3027.59 7.576 148 3026.25 7.573 248 3024.90 7.569 140 3022.22 7.563 77 3020.14 7.557 333 3018.19 7.553 146 3013.67 7.541 229 3011.11 7.535 1000 3009.64 7.531 224 3008.30 7.528 133 3006.96 7.524 276 3006.47 7.523 357 3005.00 7.520 191 3001.10 7.510 206 2999.15 7.505 937 2997.31 7.500 313 2995.24 7.495 496 2993.04 7.490 193 2992.55 7.488 171 2991.46 7.486 358 2990.84 7.484 405 2988.28 7.478 53
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1H NMR 89.56 MHz C15 H11 Br O 0.034 g : 0.5 ml CDCl3 trans-4-bromochalcone Assign. Shift(ppm)
A 8.008 B 7.71 C 7.60 to 7.40 D 7.54 400MHZ. : HSP-41-812
Hz ppm Int.722.38 8.066 132 720.63 8.047 143 718.69 8.025 71 717.69 8.014 76 717.13 8.008 76 715.25 7.987 123 713.88 7.971 77 712.63 7.958 187 711.00 7.939 33 702.81 7.848 78 687.06 7.672 331 684.19 7.640 42 682.44 7.620 96 680.56 7.599 110 677.81 7.569 598 675.81 7.546 336 673.38 7.519 1000 670.75 7.490 136 669.75 7.479 157 667.06 7.449 53 666.38 7.441 54 664.63 7.422 70 662.13 7.394 106
in CDCl3
KBr disc
nujol mull
