(E)-1-(4-Bromophenyl)-3-phenyl-2-propene-1-one(22966-23-0) MS
Product Name(E)-1-(4-Bromophenyl)-3-phenyl-2-propene-1-one
CAS22966-23-0
Molecular FormulaC15H11BrO
Molecular Weight287.15
InChIInChI=1S/C15H11BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
InChIKey QMHDTKUBDZUMNH-IZZDOVSWSA-N
SmilesC(C1=CC=C(Br)C=C1)(=O)/C=C/C1=CC=CC=C1
-
MassMS-NW-9751 trans-4'-bromochalcone C15H11BrO (Mass of molecular ion: 286)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.0 39.0 1.1 50.0 5.6 51.0 7.5 52.0 1.3 63.0 2.2 74.0 2.8 75.0 10.3 76.0 19.4 76.5 1.0 77.0 26.2 78.0 2.2 88.0 3.0 88.5 1.4 89.0 17.8 89.5 11.9 90.0 1.8 101.0 1.6 102.0 10.0 103.0 40.9 103.5 2.1 104.0 5.2 105.0 2.2 129.0 1.1 130.0 1.6 131.0 44.6 132.0 4.5 151.0 1.6 152.0 2.5 155.0 19.6 156.0 1.7 157.0 18.8 158.0 1.3 176.0 3.1 177.0 3.1 178.0 29.7 179.0 20.5 180.0 3.1 183.0 22.5 184.0 1.8 185.0 21.7 186.0 1.7 189.0 1.0 205.0 2.2 206.0 3.0 207.0 63.4 208.0 11.0 209.0 1.2 210.0 1.1 258.0 1.6 260.0 1.6 285.0 91.7 286.0 75.9 287.0 100.0 288.0 73.8 289.0 11.2 290.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C15 H11 Br O 0.032 g : 0.5 ml CDCl3 trans-4'-bromochalcone 
Assign. Shift(ppm)
A 7.881 B 7.808 C 7.64 D 7.470 E 7.42 J(B,D)=15.6HZ. 90MHZ. : HSP-05-102
Hz ppm Int.3156.74 7.899 93 3154.42 7.893 632 3152.34 7.888 235 3147.71 7.877 240 3145.63 7.871 789 3143.43 7.866 112 3129.39 7.831 283 3113.77 7.792 350 3062.38 7.663 33 3060.30 7.658 58 3058.35 7.653 159 3056.15 7.648 1000 3054.08 7.642 427 3053.10 7.640 247 3052.25 7.638 241 3050.54 7.634 253 3049.44 7.631 452 3047.36 7.626 839 3045.17 7.620 168 3043.09 7.615 52 3042.24 7.613 51 2992.55 7.488 593 2978.88 7.454 40 2976.81 7.449 487 2973.63 7.441 48 2972.41 7.438 94 2971.80 7.437 78 2969.85 7.432 195 2968.51 7.428 645 2966.92 7.424 317 2966.43 7.423 321 2965.33 7.420 634 2964.23 7.418 332 2962.04 7.412 551 2960.21 7.408 135 2958.13 7.402 58
-
1H NMR 89.56 MHz C15 H11 Br O 0.032 g : 0.5 ml CDCl3 trans-4'-bromochalcone Assign. Shift(ppm)
A 7.88 B 7.81 C 7.63 D 7.47 E 7.47 to 7.37 400MHZ. : HSP-41-817
Hz ppm Int.714.31 7.976 37 712.94 7.961 85 710.88 7.938 429 708.88 7.916 334 706.38 7.888 65 704.25 7.864 260 702.06 7.839 874 700.13 7.818 172 698.69 7.802 52 698.06 7.795 51 693.25 7.741 518 689.31 7.697 336 687.31 7.675 1000 685.19 7.651 384 683.69 7.634 255 682.38 7.620 291 680.63 7.600 370 679.13 7.583 533 678.56 7.577 609 674.75 7.535 782 671.81 7.502 93 670.44 7.486 168 668.13 7.461 302 667.06 7.449 639 665.81 7.435 353 663.94 7.414 503 662.75 7.401 293 660.50 7.375 434 659.06 7.359 360 656.63 7.332 57 655.44 7.319 36
in CDCl3
KBr disc
nujol mull
