alpha-Chloro-o-fluorotoluene(345-35-7) Raman
Product Namealpha-Chloro-o-fluorotoluene
CAS345-35-7
Molecular FormulaC7H6ClF
Molecular Weight144.57
InChIInChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey MOBRMRJUKNQBMY-UHFFFAOYSA-N
SmilesC1(CCl)=CC=CC=C1F
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MassMS-NW-7760 o-fluorobenzyl chloride C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 240 °C Sample Temperature: 140 °C Reservoir, 75 eV
31.0 1.2 38.0 1.1 39.0 3.0 44.0 1.9 50.0 2.3 51.0 1.9 54.0 1.4 57.0 5.1 59.0 1.2 61.0 1.2 62.0 2.5 63.0 3.8 81.0 2.7 83.0 12.2 89.0 1.8 107.0 6.0 108.0 2.1 109.0 100.0 110.0 7.9 143.0 4.0 144.0 23.1 145.0 3.0 146.0 7.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Cl F 0.05 ml : 0.5 ml CDCl3 o-fluorobenzyl chloride 
Assign. Shift(ppm)
A 7.378 B 7.279 C 7.109 D 7.039 E 4.601 A,B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.2956.91 7.399 114 2955.20 7.395 128 2949.34 7.380 224 2947.63 7.376 252 2941.77 7.361 128 2940.06 7.357 142 2920.53 7.308 75 2918.70 7.304 77 2915.28 7.295 82 2913.09 7.290 143 2912.35 7.288 126 2911.25 7.285 117 2910.52 7.283 115 2907.59 7.276 111 2906.98 7.274 117 2905.88 7.272 119 2904.91 7.269 171 2902.95 7.264 107 2899.54 7.256 105 2897.71 7.251 98 2848.75 7.129 183 2847.66 7.126 213 2841.31 7.110 284 2840.09 7.107 334 2833.74 7.091 138 2832.52 7.088 154 2822.39 7.063 168 2821.29 7.060 169 2814.21 7.042 152 2812.74 7.039 237 2811.28 7.035 188 2804.20 7.017 138 2802.98 7.014 144 1839.11 4.602 1000
in CDCl3
liquid film
4880 A,200 M,liquid
