(E)-1-(4-Methoxyphenyl)-3-(4-chlorophenyl)-2-propene-1-one(41564-68-5) 13C NMR
Molecular FormulaC16H13ClO2
Molecular Weight272.73
InChIInChI=1S/C16H13ClO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
InChIKey RESSHTKZHPRDTR-NYYWCZLTSA-N
SmilesC(C1=CC=C(OC)C=C1)(=O)/C=C/C1=CC=C(Cl)C=C1
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MassMS-NW-9741 trans-4-chloro-4'-methoxychalcone C16H13ClO2 (Mass of molecular ion: 272)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
50.0 1.5 51.0 2.2 63.0 3.1 64.0 4.8 65.0 1.0 74.0 1.3 75.0 5.6 76.0 3.2 77.0 16.5 78.0 1.6 79.0 1.3 89.0 1.6 92.0 13.2 93.0 1.2 101.0 10.8 102.0 11.5 103.0 1.5 104.0 2.9 104.5 1.4 107.0 12.1 108.0 4.7 111.0 1.2 118.5 1.7 122.0 2.7 135.0 55.7 136.0 6.6 137.0 8.9 138.0 1.5 139.0 3.7 145.0 1.1 160.0 10.2 161.0 2.8 163.0 1.1 164.0 1.4 165.0 22.4 166.0 11.7 167.0 4.7 176.0 1.3 177.0 2.1 178.0 4.8 179.0 1.2 193.0 2.3 194.0 7.7 195.0 3.8 201.0 3.0 205.0 1.1 208.0 4.4 209.0 7.8 210.0 1.2 213.0 1.6 222.0 3.3 228.0 1.6 229.0 13.0 230.0 2.4 231.0 4.5 237.0 24.0 238.0 4.3 241.0 11.1 242.0 2.1 243.0 5.7 244.0 17.6 245.0 3.5 246.0 5.7 255.0 1.4 256.0 1.2 257.0 18.1 258.0 3.3 259.0 5.9 271.0 31.6 272.0 100.0 273.0 27.2 274.0 33.2 275.0 5.7
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C16 H13 Cl O2 0.032 g : 0.5 ml CDCl3 trans-4-chloro-4'-methoxychalcone 
Assign. Shift(ppm)
A 8.029 B 7.733 C 7.558 D 7.511 E 7.377 F 6.978 G 3.882 J(B,D)=15.6HZ. 90MHZ. : HSP-05-097
Hz ppm Int.3216.43 8.049 30 3213.62 8.042 233 3211.43 8.036 78 3206.67 8.024 75 3204.59 8.019 254 3201.66 8.012 30 3099.61 7.756 87 3083.98 7.717 121 3025.27 7.570 174 3023.68 7.566 63 3018.68 7.554 65 3016.97 7.550 218 3014.65 7.544 34 3014.16 7.543 31 3008.18 7.528 212 2992.55 7.488 150 2954.71 7.394 34 2952.27 7.388 241 2950.44 7.383 75 2945.56 7.371 62 2943.85 7.367 194 2796.14 6.997 31 2793.33 6.990 240 2791.26 6.985 77 2786.50 6.973 71 2784.30 6.967 237 1551.51 3.883 1000
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1H NMR 89.56 MHz C16 H13 Cl O2 0.032 g : 0.5 ml CDCl3 trans-4-chloro-4'-methoxychalcone Assign. Shift(ppm)
A 8.025 B 7.72 C 7.55 D 7.51 E 7.39 F 6.974 G 3.879 400MHZ. : HSP-41-814
Hz ppm Int.723.44 8.078 199 721.38 8.055 62 716.56 8.001 75 714.44 7.978 243 702.81 7.848 44 687.19 7.673 172 681.94 7.615 97 680.00 7.593 52 677.31 7.563 283 675.44 7.542 76 673.31 7.518 267 671.50 7.498 50 671.38 7.497 50 665.50 7.431 68 663.69 7.411 288 661.63 7.388 119 657.06 7.337 43 655.00 7.314 97 628.94 7.023 228 626.81 6.999 64 622.06 6.946 60 619.94 6.923 194 347.50 3.881 1000
in CDCl3
KBr disc
nujol mull
