4-Fluorobenzyl chloride(352-11-4) 13C NMR
Product Name4-Fluorobenzyl chloride
CAS352-11-4
Molecular FormulaC7H6ClF
Molecular Weight144.57
InChIInChI=1S/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey IZXWCDITFDNEBY-UHFFFAOYSA-N
SmilesC1(CCl)=CC=C(F)C=C1
-
MassMS-NW-7765 p-fluorobenzyl chloride C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 240 °C Sample Temperature: 140 °C Reservoir, 75 eV
31.0 1.4 38.0 1.1 39.0 2.7 44.0 1.3 50.0 2.5 51.0 1.9 57.0 5.4 59.0 1.1 61.0 1.3 62.0 2.3 63.0 3.8 81.0 3.0 82.0 1.0 83.0 11.9 89.0 1.7 107.0 6.5 108.0 2.5 109.0 100.0 110.0 7.9 143.0 3.0 144.0 20.7 145.0 2.5 146.0 6.7
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H6 Cl F 0.05 ml : 0.5 ml CDCl3 p-fluorobenzyl chloride 
Assign. Shift(ppm)
A 7.323 B 7.010 C 4.525
Hz ppm Int.2936.89 7.349 40 2933.84 7.342 286 2931.64 7.336 125 2928.59 7.328 306 2927.25 7.325 179 2926.76 7.324 173 2925.05 7.320 317 2922.00 7.312 143 2919.80 7.306 305 2916.75 7.299 46 2812.87 7.039 52 2809.94 7.032 366 2807.74 7.026 117 2803.22 7.015 150 2801.27 7.010 601 2799.19 7.005 138 2794.68 6.993 117 2792.60 6.988 314 2789.55 6.980 43 1808.35 4.525 1000
-
1H NMR 89.56 MHz C7 H6 Cl F 0.05 ml : 0.5 ml CDCl3 p-fluorobenzyl chloride Assign. Shift(ppm)
A 7.304 B 7.011 C 4.517
Hz ppm Int.662.94 7.403 154 660.75 7.378 84 657.56 7.343 190 654.06 7.304 306 651.13 7.271 131 648.75 7.244 291 646.06 7.214 61 644.75 7.200 58 637.81 7.122 64 635.13 7.092 333 632.81 7.066 103 628.50 7.018 112 626.56 6.996 465 624.38 6.972 115 621.44 6.939 37 619.94 6.923 82 617.81 6.899 178 404.63 4.518 1000
in CDCl3
liquid film
4880 A,200 M,liquid
