(E)-3-(4-methoxyphenyl)-1-phenyl-prop-2-en-1-one(22252-15-9) 13C NMR
Product Name(E)-3-(4-methoxyphenyl)-1-phenyl-prop-2-en-1-one
CAS22252-15-9
Molecular FormulaC16H14O2
Molecular Weight238.28
InChIInChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKey XUFXKBJMCRJATM-FMIVXFBMSA-N
SmilesC(C1=CC=CC=C1)(=O)/C=C/C1=CC=C(OC)C=C1
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MassMS-NW-9743 trans-4-methoxychalcone C16H14O2 (Mass of molecular ion: 238)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 1.2 50.0 1.3 51.0 5.1 63.0 3.1 64.0 1.9 65.0 1.0 75.0 1.3 76.0 2.4 77.0 31.5 78.0 3.5 79.0 3.2 89.0 6.4 90.0 5.9 91.0 1.1 92.0 1.9 102.0 2.6 103.0 3.1 105.0 14.4 106.0 1.0 108.0 30.4 109.0 2.4 118.0 4.6 130.0 1.6 133.0 12.0 134.0 1.2 152.0 2.1 161.0 20.1 162.0 2.2 165.0 3.5 166.0 1.3 167.0 4.1 177.0 1.2 178.0 2.0 179.0 3.4 194.0 2.4 195.0 7.2 196.0 1.1 207.0 11.0 208.0 1.9 209.0 3.6 210.0 3.1 221.0 1.4 222.0 1.5 223.0 16.4 224.0 2.8 237.0 37.6 238.0 100.0 239.0 17.8 240.0 2.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C16 H14 O2 0.030 g : 0.5 ml CDCl3 trans-4-methoxychalcone 
Assign. Shift(ppm)
A 8.009 B 7.785 C 7.599 D 7.57 E 7.496 F 7.415 G 6.935 J 3.847 J(B,F)=15.6HZ. 90MHZ. : HSP-05-088
Hz ppm Int.3205.93 8.022 109 3204.59 8.019 141 3203.86 8.017 66 3203.13 8.015 66 3199.71 8.007 44 3197.63 8.002 181 3196.17 7.998 134 3120.00 7.807 85 3104.37 7.768 105 3041.63 7.611 167 3039.92 7.607 55 3039.43 7.606 52 3035.28 7.595 54 3034.79 7.594 59 3033.08 7.590 185 3032.59 7.589 198 3031.25 7.585 41 3027.71 7.576 30 3025.27 7.570 79 3023.07 7.565 35 3019.29 7.555 51 3017.94 7.552 90 3016.48 7.548 45 3004.03 7.517 30 3002.69 7.514 88 3002.08 7.512 122 3000.61 7.509 59 2995.85 7.497 102 2994.38 7.493 180 2992.92 7.489 45 2988.89 7.479 33 2987.30 7.475 77 2986.21 7.473 50 2970.58 7.433 202 2954.96 7.394 164 2775.76 6.946 188 2773.80 6.941 59 2769.04 6.929 57 2766.97 6.924 172 1537.48 3.848 1000
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1H NMR 89.56 MHz C16 H14 O2 0.030 g : 0.5 ml CDCl3 trans-4-methoxychalcone Assign. Shift(ppm)
A 8.006 B 7.77 C 7.58 D 7.59 to 7.45 E 7.43 F 6.933 G 3.844 400MHZ. : HSP-41-806
Hz ppm Int.722.19 8.064 94 720.31 8.043 103 718.63 8.025 42 718.06 8.018 49 717.25 8.009 68 715.31 7.987 88 712.44 7.955 142 706.50 7.889 67 690.81 7.714 145 687.88 7.681 32 687.44 7.676 33 686.94 7.671 32 685.00 7.649 155 683.00 7.627 59 680.75 7.602 50 678.63 7.578 117 676.06 7.549 400 674.44 7.531 203 673.63 7.522 156 671.56 7.499 92 669.75 7.479 309 668.81 7.468 122 665.25 7.428 38 663.88 7.413 42 654.13 7.304 102 627.56 7.008 31 624.88 6.978 207 622.75 6.954 58 618.19 6.903 61 616.13 6.880 153 347.38 3.879 37 344.38 3.846 1000
in CDCl3
KBr disc
nujol mull
