4-Fluorobenzoyl chloride(403-43-0) Raman
Product Name4-Fluorobenzoyl chloride
CAS403-43-0
Molecular FormulaC7H4ClFO
Molecular Weight158.56
InChIInChI=1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
InChIKey CZKLEJHVLCMVQR-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=C(F)C=C1
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MassMS-NW-7787 p-fluorobenzoyl chloride C7H4ClFO (Mass of molecular ion: 158)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.0 31.0 1.7 37.0 2.6 38.0 1.9 39.0 1.0 47.5 3.1 49.0 1.4 50.0 8.0 51.0 3.5 57.0 1.4 61.0 1.5 61.5 5.5 62.0 1.9 63.0 1.5 65.0 1.0 68.0 3.7 69.0 5.5 73.0 1.2 74.0 5.1 75.0 18.8 76.0 1.7 93.0 1.3 94.0 4.0 95.0 54.6 96.0 3.8 123.0 100.0 124.0 7.8 158.0 3.7 160.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H4 Cl F O 0.05 ml : 0.5 ml CDCl3 p-fluorobenzoyl chloride 
Assign. Shift(ppm)
A 8.130 B 7.171 J(F-19,A)=5.2HZ J(F-19,B)=8.1HZ
Hz ppm Int.743.00 8.297 33 738.56 8.247 121 737.75 8.238 96 735.63 8.214 727 733.44 8.190 353 730.44 8.156 778 728.63 8.136 456 726.50 8.112 896 723.50 8.079 420 721.25 8.054 861 718.38 8.022 154 715.94 7.994 46 653.38 7.296 132 650.50 7.264 957 648.25 7.239 310 645.25 7.205 201 643.50 7.186 366 642.31 7.172 1000 641.31 7.161 858 640.13 7.148 391 638.44 7.129 183 635.38 7.095 285 633.19 7.071 697 630.31 7.038 115
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1H NMR 399.65 MHz C7 H4 Cl F O 0.05 ml : 0.5 ml CDCl3 p-fluorobenzoyl chloride Assign. Shift(ppm)
A 8.150 B 7.194
Hz ppm Int.3267.94 8.178 113 3265.01 8.170 840 3262.82 8.165 350 3259.77 8.157 877 3257.93 8.152 433 3255.98 8.148 794 3252.81 8.140 375 3250.85 8.135 789 3247.68 8.127 126 2886.35 7.223 113 2883.42 7.215 880 2881.23 7.210 270 2878.30 7.203 150 2876.46 7.198 378 2875.37 7.195 1000 2874.51 7.193 881 2873.17 7.190 347 2871.34 7.185 137 2868.41 7.178 282 2866.46 7.173 739 2863.28 7.165 114
in CDCl3
liquid film
4880 A,200 M,liquid
