3-Fluoroacetanilide(351-28-0) IR2
Product Name3-Fluoroacetanilide
CAS351-28-0
Molecular FormulaC8H8FNO
Molecular Weight153.15
InChIInChI=1S/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey AQLLDCFUQXGLHM-UHFFFAOYSA-N
SmilesC(NC1=CC=CC(F)=C1)(=O)C
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MassMS-IW-2639 3'-fluoroacetanilide C8H8FNO (Mass of molecular ion: 153)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.2 28.0 2.3 38.0 1.3 39.0 1.8 42.0 1.4 43.0 40.0 44.0 1.1 45.0 2.1 50.0 1.2 51.0 1.0 52.0 1.1 57.0 5.8 60.0 1.5 62.0 1.1 63.0 2.6 64.0 2.4 65.0 1.1 75.0 2.6 81.0 1.4 82.0 1.8 83.0 9.6 84.0 12.6 85.0 1.1 91.0 2.2 95.0 2.7 109.0 1.2 110.0 2.7 111.0 100.0 112.0 7.3 153.0 23.8 154.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H8 F N O 0.040 g : 0.5 ml CDCl3 3'-fluoroacetanilide 
Assign. Shift(ppm)
A 8.41 B 7.487 C 7.218 D 7.168 E 6.785 F 2.166
Hz ppm Int.3362.18 8.413 41 3000.00 7.507 47 2997.80 7.502 73 2995.73 7.496 47 2989.01 7.480 48 2986.82 7.474 72 2984.74 7.469 47 2897.71 7.251 30 2891.24 7.235 38 2889.53 7.231 82 2883.18 7.215 81 2881.47 7.210 69 2875.24 7.195 64 2868.65 7.178 80 2867.43 7.175 106 2865.84 7.171 85 2860.60 7.158 43 2858.76 7.154 52 2857.67 7.151 39 2721.56 6.810 32 2720.46 6.808 36 2718.99 6.804 36 2718.02 6.802 34 2713.26 6.790 59 2712.04 6.787 61 2710.82 6.783 64 2709.72 6.781 57 2705.20 6.769 31 2703.98 6.766 33 2702.64 6.763 32 865.60 2.166 1000
in CDCl3
KBr disc
nujol mull
