3-(4-chlorophenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one
Product Name 3-(4-chlorophenyl)-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one
CAS126443-17-2
MFC16H13ClOS
MW288.79182
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MassMS-IW-1471 trans-4-chloro-4'-(methylthio)chalcone C16H13ClOS (Mass of molecular ion: 288)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
39.0 1.6 45.0 15.2 47.0 1.6 50.0 4.8 51.0 5.6 58.0 1.5 63.0 3.6 65.0 1.0 69.0 3.8 74.0 2.7 75.0 9.4 76.0 4.8 77.0 6.8 78.0 1.2 79.0 7.2 82.0 2.5 89.0 1.2 91.0 1.4 97.0 1.5 101.0 13.7 102.0 13.8 103.0 1.4 104.0 2.3 105.0 1.1 108.0 8.9 109.0 1.6 110.0 1.3 111.0 1.9 121.0 1.5 123.0 6.7 124.0 2.1 126.5 4.2 127.0 1.1 136.0 2.9 137.0 9.5 138.0 1.6 139.0 3.6 151.0 34.3 152.0 4.1 153.0 1.8 165.0 14.2 166.0 2.5 167.0 4.3 176.0 2.7 177.0 3.1 178.0 13.0 179.0 2.1 205.0 2.1 206.0 3.4 207.0 1.0 208.0 1.5 209.0 2.0 210.0 2.3 211.0 1.4 212.0 4.8 213.0 2.4 214.0 1.7 238.0 1.8 240.0 1.2 241.0 68.6 242.0 11.9 243.0 23.0 244.0 3.9 245.0 7.3 246.0 1.2 247.0 2.7 253.0 13.4 254.0 2.7 255.0 1.0 260.0 16.7 261.0 3.0 262.0 6.2 263.0 1.1 272.0 1.5 273.0 2.4 287.0 31.6 288.0 100.0 289.0 29.9 290.0 39.1 291.0 7.1 292.0 2.2
400 MHz at 50.7C
90 MHz at 50.1C
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1H NMR 399.65 MHz C16 H13 Cl O S 0.037 g : 0.5 ml CDCl3 at 50C trans-4-chloro-4'-(methylthio)chalcone 
Assign. Shift(ppm)
A 7.924 B 7.722 C 7.540 D 7.455 E 7.369 F 7.301 G 2.520 J(B,D)=15.6HZ 90MHZ : HSP-05-287
Hz ppm Int.3171.39 7.936 182 3169.43 7.931 73 3164.67 7.919 66 3162.72 7.914 219 3160.64 7.909 38 3095.34 7.746 80 3079.71 7.707 109 3018.31 7.553 155 3016.72 7.549 57 3011.72 7.536 56 3010.01 7.532 188 3007.69 7.526 33 3007.20 7.525 31 2986.33 7.473 187 2970.70 7.434 141 2951.90 7.387 31 2949.46 7.381 217 2947.51 7.376 72 2942.87 7.364 73 2941.04 7.360 171 2924.32 7.318 33 2922.24 7.312 198 2920.29 7.308 76 2915.53 7.296 64 2913.57 7.291 198 2911.50 7.286 36 1007.32 2.521 1000
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1H NMR 89.56 MHz C16 H13 Cl O S 0.037 g : 0.5 ml CDCl3 at 50C trans-4-chloro-4'-(methylthio)chalcone Assign. Shift(ppm)
A 7.91 B 7.71 C 7.52 D 7.45 E 7.37 F 7.30 G 2.515 400MHZ : HSP-42-101
Hz ppm Int.715.88 7.994 41 715.50 7.990 39 713.75 7.970 178 711.75 7.948 71 709.56 7.923 33 708.88 7.916 36 706.94 7.894 111 705.00 7.872 243 703.00 7.850 63 701.25 7.830 75 685.63 7.656 171 682.88 7.625 38 682.25 7.618 40 680.06 7.594 102 678.06 7.572 57 677.06 7.560 42 676.38 7.553 43 672.38 7.508 368 671.50 7.498 317 669.81 7.479 96 667.94 7.459 46 667.31 7.451 46 666.69 7.445 49 666.25 7.440 52 662.75 7.401 302 660.31 7.373 111 659.44 7.364 100 657.44 7.341 292 655.31 7.317 156 654.75 7.311 143 654.00 7.303 141 652.38 7.285 72 652.00 7.281 76 650.56 7.264 123 645.06 7.203 37 644.63 7.198 35 225.31 2.516 1000
in CDCl3
liquid film
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