3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one(102692-37-5) MS
Product Name3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CAS102692-37-5
Molecular FormulaC16H13FO2
Molecular Weight256.27
InChIInChI=1S/C16H13FO2/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 OAJAFWHLVBVKQH-NYYWCZLTSA-N
SmilesC(C1=CC=C(OC)C=C1)(=O)/C=C/C1=CC=C(F)C=C1
-
MassMS-IW-1384 trans-4-fluoro-4'-methoxychalcone C16H13FO2 (Mass of molecular ion: 256)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
51.0 1.0 63.0 1.4 64.0 2.2 75.0 2.0 77.0 7.1 92.0 4.9 95.0 1.1 101.0 5.5 107.0 4.9 108.0 2.2 114.0 1.8 120.0 1.4 121.0 5.3 135.0 27.5 136.0 2.4 149.0 7.1 160.0 4.9 161.0 1.2 165.0 2.5 183.0 2.5 185.0 2.1 196.0 1.6 197.0 2.1 212.0 2.1 213.0 10.4 214.0 1.6 225.0 8.2 226.0 1.5 227.0 3.2 228.0 10.5 229.0 1.7 239.0 1.5 240.0 1.3 241.0 17.4 242.0 2.9 255.0 27.7 256.0 100.0 257.0 17.8 258.0 2.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C16 H13 F O2 0.038 g : 0.5 ml CDCl3 trans-4-fluoro-4'-methoxychalcone 
Assign. Shift(ppm)
A 8.033 B 7.757 C 7.623 D 7.472 E 7.097 G 6.977 J 3.878 J(B,D)=15.6HZ, J(F-19,C)=5.2HZ, J(C,D)=0.5HZ, J(F-19,E)=8.8HZ
Hz ppm Int.3215.21 8.046 235 3213.01 8.040 74 3208.25 8.028 74 3206.18 8.023 253 3108.89 7.780 85 3093.26 7.740 110 3053.22 7.640 91 3051.15 7.635 36 3047.85 7.627 94 3046.26 7.623 50 3044.68 7.619 100 3044.31 7.618 90 3041.50 7.611 37 3039.31 7.605 96 2993.29 7.490 119 2992.80 7.489 126 2977.66 7.451 92 2977.17 7.450 97 2844.73 7.119 105 2842.77 7.114 34 2838.01 7.102 39 2836.18 7.097 187 2834.35 7.093 40 2829.59 7.081 33 2827.64 7.076 97 2795.78 6.996 30 2792.97 6.989 243 2790.89 6.984 72 2786.13 6.972 69 2783.94 6.966 237 1550.05 3.879 1000
in CDCl3
liquid film
