4'-Methoxychalcone(22966-19-4) MS
Product Name4'-Methoxychalcone
CAS22966-19-4
Molecular FormulaC16H14O2
Molecular Weight238.28
InChIInChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
InChIKey KJHHAPASNNVTSN-KPKJPENVSA-N
SmilesC(C1=CC=C(OC)C=C1)(=O)/C=C/C1=CC=CC=C1
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MassMS-NW-9746 trans-4'-methoxychalcone C16H14O2 (Mass of molecular ion: 238)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 1.3 50.0 1.7 51.0 4.2 63.0 3.0 64.0 4.6 65.0 1.2 75.0 1.1 76.0 2.5 77.0 23.3 78.0 2.1 79.0 1.0 89.0 1.2 92.0 8.3 102.0 2.4 103.0 9.9 104.0 1.3 105.0 2.2 107.0 6.0 108.0 2.7 131.0 5.9 135.0 24.2 136.0 2.1 152.0 1.8 160.0 2.6 161.0 1.0 165.0 2.9 166.0 1.2 167.0 4.4 177.0 1.0 178.0 1.7 179.0 2.6 194.0 2.6 195.0 6.9 196.0 1.1 207.0 5.4 208.0 1.0 209.0 4.3 210.0 8.3 211.0 1.3 221.0 1.0 222.0 1.5 223.0 12.1 224.0 2.0 237.0 59.9 238.0 100.0 239.0 17.1 240.0 2.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C16 H14 O2 0.036 g : 0.5 ml CDCl3 trans-4'-methoxychalcone 
Assign. Shift(ppm)
A 8.035 B 7.79 C 7.63 D 7.52 E 7.47 to 7.34 F 6.975 G 3.868 CLI G461 400MHZ. : HSP-41-819
Hz ppm Int.724.31 8.088 203 722.25 8.065 66 717.44 8.011 79 715.31 7.987 251 712.50 7.956 33 708.25 7.909 62 692.63 7.734 199 688.94 7.693 62 685.19 7.651 90 683.63 7.634 83 680.56 7.599 328 679.25 7.585 143 676.63 7.556 40 675.50 7.543 38 667.19 7.450 87 665.06 7.426 258 662.94 7.403 124 661.88 7.391 180 658.75 7.356 154 631.50 7.052 35 628.63 7.020 241 626.56 6.996 68 621.75 6.943 66 619.69 6.920 198 346.44 3.869 1000
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1H NMR 399.65 MHz C16 H14 O2 0.036 g : 0.5 ml CDCl3 trans-4'-methoxychalcone Assign. Shift(ppm)
A 8.039 B 7.796 C 7.632 D 7.544 E 7.41 F 7.39 G 6.975 J 3.870 J(B,D)=15.6HZ. E AND F WERE CONFIRMED BY LAOCN PROGRAM. 90MHZ. : HSP-05-101
Hz ppm Int.3220.21 8.058 30 3217.41 8.051 244 3215.33 8.046 90 3210.57 8.034 78 3208.37 8.028 268 3205.57 8.021 35 3124.88 7.820 100 3109.25 7.780 134 3055.42 7.646 91 3052.73 7.639 77 3051.51 7.636 90 3051.03 7.635 86 3047.73 7.626 114 3046.26 7.623 102 3045.78 7.622 110 3021.61 7.561 210 3005.98 7.522 156 2965.82 7.422 45 2964.72 7.419 34 2963.26 7.415 42 2961.79 7.411 131 2959.72 7.406 144 2956.54 7.398 231 2954.71 7.394 258 2952.15 7.387 45 2950.44 7.383 30 2794.92 6.994 32 2792.11 6.987 245 2789.92 6.981 89 2785.16 6.969 73 2783.08 6.964 249 2780.27 6.957 32 1546.63 3.870 1000
in CDCl3
nujol mull
