(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one(126443-20-7) MS
Molecular FormulaC15H10BrClO
Molecular Weight321.6
InChIInChI=1S/C15H10BrClO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
InChIKey ZSTZCXBJHPAPIQ-XCVCLJGOSA-N
SmilesC(C1=CC=C(Cl)C=C1)(=O)/C=C/C1=CC=C(Br)C=C1
-
MassMS-IW-1393 trans-4-bromo-4'-chlorochalcone C15H10BrClO (Mass of molecular ion: 320)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
39.0 1.5 50.0 12.7 51.0 10.2 52.0 2.4 62.0 1.9 63.0 4.6 73.0 1.2 74.0 10.3 75.0 40.3 76.0 24.5 77.0 3.9 85.0 2.5 86.0 1.2 87.0 1.9 88.0 9.6 88.5 9.1 89.0 8.2 98.0 1.8 99.0 1.5 100.0 1.3 101.0 16.3 102.0 78.7 103.0 8.0 104.0 1.6 105.0 1.5 106.0 3.4 106.5 6.0 107.0 1.9 107.5 1.9 110.0 1.5 111.0 51.7 112.0 4.2 113.0 17.6 114.0 1.7 120.5 4.2 121.5 1.3 128.0 1.1 129.0 1.3 130.0 6.8 136.0 1.7 138.0 1.2 139.0 60.0 140.0 4.8 141.0 19.6 142.0 1.5 146.0 1.1 147.0 1.4 150.0 1.6 151.0 3.2 152.0 2.7 155.0 2.0 157.0 2.1 164.0 4.0 165.0 1.3 166.0 1.3 175.0 1.1 176.0 8.5 177.0 8.1 178.0 48.7 179.0 7.6 180.0 1.9 181.0 13.7 182.0 2.9 183.0 13.8 184.0 1.4 189.0 1.2 199.0 1.2 205.0 4.6 206.0 16.0 207.0 2.7 209.0 28.0 210.0 3.2 211.0 26.6 212.0 7.6 213.0 5.1 214.0 2.6 215.0 1.5 240.0 1.3 241.0 87.6 242.0 14.9 243.0 29.3 244.0 5.0 285.0 86.3 286.0 14.9 287.0 84.6 288.0 13.8 289.0 1.1 292.0 4.7 294.0 6.1 296.0 1.7 319.0 45.4 320.0 76.1 321.0 70.4 322.0 100.0 323.0 31.0 324.0 25.8 325.0 4.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C15 H10 Br Cl O 0.038 g : 0.5 ml CDCl3 at 55C trans-4-bromo-4'-chlorochalcone 
Assign. Shift(ppm)
A 7.931 B 7.711 C 7.541 D 7.48 E 7.46 F 7.433 J(B,F)=15.7HZ
Hz ppm Int.3176.76 7.949 115 3174.32 7.943 780 3172.36 7.938 301 3170.29 7.933 51 3167.72 7.927 278 3165.65 7.922 906 3163.33 7.916 141 3090.94 7.735 340 3075.20 7.695 441 3023.19 7.565 38 3021.24 7.560 93 3019.04 7.555 528 3017.21 7.550 225 3014.40 7.543 66 3012.57 7.539 266 3010.62 7.534 1000 3008.54 7.528 208 3005.49 7.521 46 3005.13 7.520 44 3004.39 7.518 42 3004.03 7.517 40 3002.93 7.514 42 3002.08 7.512 44 3001.59 7.511 42 3001.22 7.510 43 3000.73 7.509 43 3000.00 7.507 46 2999.39 7.506 47 2997.68 7.501 53 2996.70 7.499 56 2996.09 7.497 57 2992.55 7.488 184 2990.48 7.483 945 2988.65 7.479 367 2987.06 7.475 962 2984.99 7.470 389 2982.06 7.462 553 2980.35 7.458 378 2978.27 7.453 904 2976.56 7.448 853 2972.17 7.437 46 2971.07 7.435 43 2970.21 7.433 39 2969.73 7.431 37 2968.99 7.429 36 2968.63 7.429 35 2967.90 7.427 32 2967.41 7.426 33 2966.67 7.424 32 2965.70 7.421 31 2963.99 7.417 30 2963.50 7.416 31 2960.94 7.409 554
in CDCl3
liquid film
