4,4'-DICHLOROCHALCONE(102692-35-3) MS
Product Name4,4'-DICHLOROCHALCONE
CAS102692-35-3
Molecular FormulaC15H10F2O
Molecular Weight244.24
InChIInChI=1S/C15H10F2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+
InChIKey AZBVDMNDUOURGI-XCVCLJGOSA-N
SmilesC(C1=CC=C(F)C=C1)(=O)/C=C/C1=CC=C(F)C=C1
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MassMS-IW-1387 trans-4,4'-difluorochalcone C15H10F2O (Mass of molecular ion: 244)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
50.0 1.2 51.0 1.2 69.0 1.1 74.0 1.5 75.0 8.9 94.0 2.4 95.0 22.2 96.0 2.4 98.0 1.8 101.0 12.9 102.0 1.2 107.0 1.2 108.0 1.6 120.0 6.8 121.0 14.4 122.0 1.7 123.0 27.2 124.0 2.1 148.0 20.2 149.0 23.9 150.0 2.3 183.0 1.8 194.0 1.2 195.0 3.5 196.0 3.4 197.0 1.2 201.0 4.3 214.0 4.8 215.0 13.4 216.0 7.3 217.0 1.1 223.0 1.1 224.0 1.3 225.0 2.8 227.0 2.5 243.0 52.0 244.0 100.0 245.0 16.5 246.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H10 F2 O 0.020 g : 0.5 ml CDCl3 trans-4,4'-difluorochalcone 
Assign. Shift(ppm)
A 8.054 B 7.777 C 7.635 D 7.433 E 7.176 G 7.114 J(A,F-19)=J(C,F-19)=5.4HZ, J(B,D)=15.6HZ J(E,F-19)=8.8HZ, J(G,F-19)=8.6HZ
Hz ppm Int.3230.83 8.085 32 3228.88 8.080 80 3225.95 8.072 516 3223.88 8.067 227 3220.58 8.059 544 3219.36 8.056 287 3218.63 8.054 298 3217.16 8.050 617 3213.87 8.042 234 3211.79 8.037 581 3208.86 8.030 83 3116.70 7.799 460 3101.07 7.760 571 3064.58 7.669 30 3063.96 7.667 31 3061.65 7.661 73 3058.59 7.654 461 3056.52 7.648 210 3053.22 7.640 495 3051.88 7.637 290 3049.80 7.632 522 3046.63 7.624 218 3044.43 7.618 491 3041.38 7.611 78 3039.06 7.605 32 2977.78 7.451 689 2972.29 7.438 42 2971.44 7.436 43 2970.95 7.434 41 2970.58 7.433 42 2970.09 7.432 41 2969.36 7.430 42 2968.99 7.429 42 2968.75 7.429 42 2967.53 7.426 42 2967.04 7.425 42 2966.43 7.423 43 2964.72 7.419 48 2962.04 7.412 563 2882.93 7.214 30 2882.57 7.213 30 2879.88 7.207 92 2876.95 7.199 547 2874.88 7.194 208 2871.46 7.185 130 2870.12 7.182 231 2868.16 7.177 1000 2866.58 7.173 265 2865.23 7.170 146 2861.82 7.161 204 2859.62 7.156 586 2856.81 7.149 113 2854.86 7.144 110 2851.81 7.136 542 2849.73 7.131 201 2845.09 7.119 221 2843.26 7.115 929 2841.31 7.110 243 2836.67 7.098 193 2834.59 7.093 495 2831.54 7.086 103 2826.78 7.074 31
in CDCl3
liquid film
