(E)-1-(4-Methoxyphenyl)-3-(4-nitrophenyl)-2-propene-1-one(77636-36-3) MS
Molecular FormulaC16H13NO4
Molecular Weight283.28
InChIInChI=1S/C16H13NO4/c1-21-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(8-3-12)17(19)20/h2-11H,1H3/b11-4+
InChIKey BUIDDTIFHZVUNT-NYYWCZLTSA-N
SmilesC(C1=CC=C(OC)C=C1)(=O)/C=C/C1=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-9754 trans-4'-methoxy-4-nitrochalcone C16H13NO4 (Mass of molecular ion: 283)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.1 50.0 1.2 51.0 1.3 63.0 2.2 64.0 3.0 75.0 1.5 76.0 3.9 77.0 13.7 78.0 1.3 79.0 1.1 89.0 1.5 90.0 1.7 92.0 10.3 93.0 1.1 102.0 6.0 107.0 11.6 108.0 3.8 118.0 1.9 130.0 4.5 135.0 77.7 136.0 6.9 139.0 1.1 150.0 1.6 151.0 1.4 152.0 1.1 153.0 1.1 161.0 1.4 164.0 1.1 165.0 10.7 166.0 6.7 167.0 1.0 176.0 5.2 177.0 3.2 178.0 5.2 179.0 1.4 193.0 1.8 194.0 6.8 195.0 1.8 206.0 1.5 208.0 3.4 209.0 5.8 210.0 1.6 222.0 2.6 225.0 4.1 236.0 12.0 237.0 9.8 238.0 2.4 240.0 3.4 252.0 5.1 253.0 3.4 254.0 1.5 255.0 35.4 256.0 6.0 266.0 9.1 267.0 2.1 268.0 8.7 269.0 1.4 282.0 10.0 283.0 100.0 284.0 18.0 285.0 2.4
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C16 H13 N O4 0.031 g : 0.5 ml CDCl3 trans-4'-methoxy-4-nitrochalcone 
Assign. Shift(ppm)
A 8.257 B 8.050 C 7.79 D 7.77 E 7.68 F 7.002 G 3.901 400MHZ. : HSP-41-820
Hz ppm Int.744.50 8.313 153 742.56 8.292 54 737.56 8.236 83 735.56 8.214 229 733.38 8.189 39 733.25 8.188 39 728.50 8.135 38 725.69 8.103 209 723.63 8.080 64 718.81 8.027 86 716.69 8.003 241 713.88 7.971 37 709.56 7.923 35 702.25 7.842 57 700.19 7.819 221 698.19 7.796 71 693.69 7.746 236 691.31 7.719 189 689.56 7.700 287 673.94 7.526 37 633.94 7.079 37 631.13 7.048 234 629.00 7.024 59 624.19 6.970 71 622.13 6.947 186 349.44 3.902 1000
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1H NMR 399.65 MHz C16 H13 N O4 0.031 g : 0.5 ml CDCl3 trans-4'-methoxy-4-nitrochalcone Assign. Shift(ppm)
A 8.260 B 8.052 C 7.79 D 7.78 E 7.659 F 7.001 G 3.902 J(C,E)=15.6HZ. 90MHZ. : HSP-05-103
Hz ppm Int.3305.79 8.272 194 3304.08 8.268 76 3298.83 8.255 65 3297.00 8.250 211 3294.80 8.245 39 3225.71 8.072 30 3222.90 8.065 230 3220.70 8.059 84 3215.94 8.047 74 3213.87 8.042 257 3210.94 8.035 33 3124.02 7.817 81 3113.89 7.792 35 3111.57 7.786 212 3108.40 7.778 154 3104.61 7.769 63 3103.03 7.765 181 3102.54 7.764 174 3100.71 7.759 36 3066.77 7.674 220 3051.15 7.635 128 2805.42 7.020 31 2802.61 7.013 238 2800.54 7.008 83 2795.65 6.996 69 2793.58 6.991 241 1559.69 3.903 1000
in CDCl3
KBr disc
nujol mull
