3-Fluorobenzyl chloride(456-42-8) 13C NMR
Product Name3-Fluorobenzyl chloride
CAS456-42-8
Molecular FormulaC7H6ClF
Molecular Weight144.57
InChIInChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey XBDXMDVEZLOGMC-UHFFFAOYSA-N
SmilesC1(CCl)=CC=CC(F)=C1
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MassMS-NW-7779 m-fluorobenzyl chloride C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.5 38.0 1.4 39.0 3.5 44.0 3.0 50.0 2.4 51.0 1.8 54.0 2.5 54.5 1.0 57.0 5.7 59.0 1.5 61.0 1.3 62.0 2.9 63.0 4.0 75.0 1.0 81.0 2.7 82.0 1.0 83.0 12.9 89.0 1.7 107.0 6.7 108.0 2.7 109.0 100.0 110.0 7.9 143.0 7.3 144.0 25.8 145.0 4.3 146.0 8.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Cl F 0.05 ml : 0.5 ml CDCl3 m-fluorobenzyl chloride 
Assign. Shift(ppm)
A 7.281 B 7.123 C 7.076 D 6.982 E 4.515
Hz ppm Int.2921.39 7.310 101 2915.53 7.296 111 2913.45 7.291 174 2907.59 7.276 174 2905.52 7.271 139 2899.66 7.256 132 2850.59 7.133 190 2850.10 7.132 194 2842.53 7.113 163 2835.94 7.097 110 2833.62 7.091 144 2831.91 7.086 103 2826.54 7.073 109 2824.22 7.067 143 2822.51 7.063 107 2801.15 7.010 84 2800.29 7.007 86 2798.58 7.003 77 2797.73 7.001 75 2792.72 6.988 137 2791.75 6.986 143 2790.16 6.982 127 2789.18 6.980 125 2784.18 6.967 71 2783.45 6.965 73 2781.62 6.961 65 2780.88 6.959 62 1804.57 4.516 1000
in CDCl3
liquid film
4880 A,200 M,liquid
