3-CHLORO-4'-FLUOROPROPIOPHENONE(347-93-3) 1H NMR
Product Name3-CHLORO-4'-FLUOROPROPIOPHENONE
CAS347-93-3
Molecular FormulaC9H8ClFO
Molecular Weight186.61
InChIInChI=1S/C9H8ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2
InChIKey AAHQPLJUSLMHHR-UHFFFAOYSA-N
SmilesC(C1=CC=C(F)C=C1)(=O)CCCl
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MassMS-KW-0280 3-chloro-4'-fluoropropiophenone C9H8ClFO (Mass of molecular ion: 186)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.0 36.0 3.3 38.0 1.3 50.0 3.1 51.0 2.3 55.0 3.6 63.0 1.6 68.0 1.3 69.0 2.4 74.0 2.0 75.0 12.3 76.0 1.1 94.0 2.6 95.0 38.7 96.0 3.3 101.0 1.0 122.0 2.2 123.0 100.0 124.0 7.7 149.0 1.5 150.0 9.4 151.0 6.3 186.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C9H8ClFO 0.041 g : 0.5 ml CDCl3 3-chloro-4'-fluoropropiophenone 
Assign. Shift(ppm)
A 7.993 B 7.154 C 3.918 D 3.439
Hz ppm Int.3205.57 8.019 56 3202.64 8.011 367 3200.57 8.006 158 3197.39 7.998 381 3195.81 7.994 187 3193.85 7.989 397 3190.68 7.982 159 3188.48 7.976 382 3185.43 7.968 56 2871.46 7.183 59 2868.54 7.176 404 2866.46 7.171 129 2863.04 7.162 78 2861.70 7.159 149 2860.11 7.155 571 2859.87 7.154 568 2858.28 7.150 163 2856.82 7.146 73 2853.40 7.138 122 2851.32 7.133 367 2848.27 7.125 52 1573.37 3.936 476 1566.66 3.919 1000 1559.94 3.902 550 1381.11 3.455 543 1374.39 3.438 978 1367.68 3.422 452
in CDCl3
KBr disk
Nujol
