Product Name(E)-β-(4-Methoxyphenyl)-4'-methoxyacrylophenone
CAS41564-67-4
Molecular FormulaC17H16O3
Molecular Weight268.31
InChIInChI=1S/C17H16O3/c1-19-15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(20-2)11-7-14/h3-12H,1-2H3/b12-5+
InChIKey HDXVSZWKIHQDES-LFYBBSHMSA-N
SmilesC(C1=CC=C(OC)C=C1)(=O)/C=C/C1=CC=C(OC)C=C1
Mass
MS-NW-9745 trans-4,4'-dimethoxychalcone C17H16O3 (Mass of molecular ion: 268)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
63.0 1.6 64.0 2.0 77.0 6.8 79.0 1.2 89.0 2.1 90.0 1.9 92.0 4.4 103.0 1.1 107.0 4.0 108.0 7.6 118.0 2.2 120.0 3.7 132.0 1.8 133.0 6.2 135.0 17.4 136.0 1.5 152.0 1.4 153.0 2.1 154.0 1.1 160.0 15.6 161.0 13.4 162.0 1.5 165.0 4.4 166.0 1.8 181.0 1.5 182.0 2.6 194.0 2.3 195.0 1.4 197.0 2.6 208.0 1.0 209.0 3.1 210.0 2.5 211.0 1.0 222.0 1.2 224.0 2.7 225.0 20.6 226.0 3.5 237.0 19.3 238.0 4.1 239.0 2.7 240.0 6.4 241.0 1.1 251.0 1.4 252.0 2.5 253.0 38.4 254.0 6.8 267.0 28.5 268.0 100.0 269.0 18.6 270.0 2.6
400 MHz in CDCl3
90 MHz in CDCl3
1H NMR | 399.65 MHz |
C17 H16 O3 | 0.031 g : 0.5 ml CDCl3 |
trans-4,4'-dimethoxychalcone |
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Assign. Shift(ppm) |
Hz ppm Int.
3213.87 8.042 226 3211.79 8.037 71 3207.03 8.025 71 3204.83 8.020 241 3115.48 7.796 85 3099.85 7.757 105 3038.57 7.604 163 3036.99 7.600 53 3031.86 7.587 54 3030.15 7.583 176 2975.59 7.446 187 2960.08 7.407 150 2793.58 6.991 31 2790.65 6.983 232 2788.57 6.978 71 2783.81 6.966 70 2781.62 6.961 223 2778.81 6.954 31 2772.83 6.939 190 2770.87 6.934 60 2766.11 6.922 56 2764.04 6.917 176 1548.34 3.875 977 1535.16 3.842 1000 1532.96 3.836 54
1H NMR | 89.56 MHz |
C17 H16 O3 | 0.031 g : 0.5 ml CDCl3 |
trans-4,4'-dimethoxychalcone |
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Assign. Shift(ppm) |
Hz ppm Int.
726.63 8.114 31 723.69 8.081 209 721.63 8.058 68 716.88 8.005 79 714.69 7.981 248 711.94 7.950 33 705.75 7.881 67 690.13 7.706 163 687.75 7.680 33 687.31 7.675 34 684.63 7.645 163 682.56 7.622 60 677.88 7.570 70 675.81 7.546 217 673.13 7.516 43 670.94 7.492 241 655.31 7.317 94 631.38 7.050 40 628.56 7.019 254 626.38 6.994 94 624.44 6.973 235 621.94 6.945 102 619.63 6.919 210 617.81 6.899 71 615.56 6.874 170 347.06 3.876 994 344.06 3.842 1000 341.31 3.811 42 340.13 3.798 31
in CDCl3
KBr disc
nujol mull
(E)-β-(4-Methoxyphenyl)-4'-methoxyacrylophenone(41564-67-4) 1H NMR Atlas of Related Products
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