(2E)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one(85502-87-0) IR2
Molecular FormulaC16H13ClO2
Molecular Weight272.73
InChIInChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3/b11-4+
InChIKey KGKFNDADSPFRCJ-NYYWCZLTSA-N
SmilesC(C1=CC=C(Cl)C=C1)(=O)/C=C/C1=CC=C(OC)C=C1
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MassMS-NW-9742 trans-4'-chloro-4-methoxychalcone C16H13ClO2 (Mass of molecular ion: 272)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
50.0 1.6 51.0 1.4 63.0 2.5 64.0 1.5 74.0 1.0 75.0 5.3 76.0 2.0 77.0 3.9 79.0 1.8 89.0 5.4 90.0 5.2 92.0 2.0 101.0 1.0 102.0 2.1 103.0 3.2 104.0 2.4 104.5 1.0 105.0 1.4 108.0 19.9 109.0 1.5 111.0 17.4 112.0 1.4 113.0 6.0 117.0 1.6 118.0 7.8 122.0 3.4 123.0 1.2 132.0 1.4 133.0 23.4 134.0 2.3 136.0 1.0 139.0 19.5 140.0 1.7 141.0 6.0 161.0 44.6 162.0 5.1 163.0 1.3 164.0 2.1 165.0 13.6 166.0 9.6 167.0 1.3 176.0 1.3 177.0 1.5 178.0 3.4 193.0 1.9 194.0 6.0 195.0 1.1 201.0 1.6 208.0 2.6 209.0 2.5 213.0 1.1 222.0 3.4 228.0 1.6 229.0 7.6 230.0 1.7 231.0 2.6 236.0 1.2 237.0 74.1 238.0 13.0 239.0 1.5 241.0 18.6 242.0 3.3 243.0 7.3 244.0 5.0 245.0 1.1 246.0 1.3 255.0 1.0 256.0 1.0 257.0 16.6 258.0 3.0 259.0 5.5 271.0 38.8 272.0 100.0 273.0 29.7 274.0 33.6 275.0 5.7
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C16 H13 Cl O2 0.039 g : 0.5 ml CDCl3 trans-4'-chloro-4-methoxychalcone 
Assign. Shift(ppm)
A 7.944 B 7.779 C 7.587 D 7.454 E 7.355 F 6.928 G 3.843 J(B,E)=15.5HZ. 90MHZ. : HSP-05-090
Hz ppm Int.3182.01 7.962 34 3179.69 7.957 232 3179.20 7.955 192 3177.61 7.951 95 3172.85 7.940 81 3170.78 7.934 277 3168.46 7.929 43 3117.43 7.801 96 3101.93 7.762 115 3037.23 7.600 148 3036.74 7.599 191 3035.03 7.595 70 3029.91 7.582 60 3028.32 7.578 186 3027.83 7.577 191 2985.72 7.471 43 2983.40 7.466 291 2981.32 7.460 106 2976.68 7.449 84 2974.61 7.444 298 2972.29 7.438 42 2946.66 7.374 208 2931.03 7.334 171 2773.19 6.940 206 2771.24 6.935 75 2766.48 6.923 60 2764.40 6.918 192 1536.13 3.844 1000
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1H NMR 89.56 MHz C16 H13 Cl O2 0.039 g : 0.5 ml CDCl3 trans-4'-chloro-4-methoxychalcone Assign. Shift(ppm)
A 7.93 B 7.78 C 7.58 D 7.46 E 7.37 F 6.927 G 3.841 400MHZ. : HSP-41-803
Hz ppm Int.715.94 7.994 171 713.94 7.972 74 709.25 7.920 85 707.25 7.897 278 705.94 7.883 106 690.13 7.706 147 683.81 7.636 154 681.88 7.614 65 677.13 7.561 70 675.06 7.538 210 673.69 7.523 82 671.19 7.495 275 669.19 7.472 94 664.56 7.421 289 662.50 7.398 203 660.31 7.373 33 649.00 7.247 115 624.31 6.971 211 622.25 6.948 70 617.44 6.895 55 615.38 6.872 158 344.06 3.842 1000
in CDCl3
KBr disc
nujol mull
