2-Chlorobenzoyl chloride(609-65-4) MS
Product Name2-Chlorobenzoyl chloride
CAS609-65-4
Molecular FormulaC7H4Cl2O
Molecular Weight175.01
InChIInChI=1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
InChIKey ONIKNECPXCLUHT-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=CC=C1Cl
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MassMS-NW-0866 o-chlorobenzoyl chloride C7H4Cl2O (Mass of molecular ion: 174)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 2.4 36.0 1.8 37.0 3.6 37.5 3.2 38.0 6.7 39.0 1.0 49.0 2.7 50.0 15.6 51.0 5.0 55.5 3.4 56.5 1.0 61.0 1.9 69.5 3.2 70.0 4.4 70.5 1.5 71.0 1.0 73.0 3.2 74.0 9.3 75.0 26.7 76.0 5.7 84.0 2.1 85.0 3.7 87.0 1.3 110.0 1.0 111.0 39.3 112.0 3.0 113.0 12.9 139.0 100.0 140.0 7.8 141.0 33.2 142.0 2.5 174.0 4.0 176.0 2.5
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H4 Cl2 O 0.04 ml : 0.5 ml CDCl3 o-chlorobenzoyl chloride 
Assign. Shift(ppm)
A 8.07 B 7.68 to 7.25
Hz ppm Int.728.75 8.138 171 727.38 8.122 171 727.00 8.118 197 724.94 8.095 148 721.81 8.060 152 720.81 8.049 207 720.44 8.045 183 718.69 8.025 207 716.94 8.006 61 685.00 7.649 41 677.94 7.570 34 675.44 7.542 185 674.50 7.532 107 674.00 7.526 198 673.19 7.517 237 671.69 7.500 562 671.06 7.493 619 669.81 7.479 1000 667.50 7.454 273 666.31 7.440 76 665.44 7.431 109 664.69 7.422 37 662.88 7.402 261 660.13 7.371 60 659.38 7.363 105 657.38 7.341 99 653.88 7.302 71 650.31 7.262 31
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1H NMR 399.65 MHz C7 H4 Cl2 O 0.05 ml : 0.5 ml CDCl3 o-chlorobenzoyl chloride Assign. Shift(ppm)
A 8.084 B 7.527 C 7.483 D 7.416
Hz ppm Int.3245.00 8.120 30 3244.51 8.119 30 3242.31 8.113 37 3235.60 8.097 659 3234.25 8.093 649 3231.45 8.086 90 3227.66 8.077 667 3226.32 8.073 654 3025.15 7.570 33 3022.34 7.563 49 3018.55 7.553 294 3016.85 7.549 302 3011.35 7.535 451 3010.50 7.533 637 3009.77 7.532 509 3008.79 7.529 596 3003.30 7.515 770 3001.71 7.511 711 2998.90 7.504 99 2996.83 7.499 113 2993.41 7.491 876 2992.31 7.488 1000 2989.87 7.482 171 2987.79 7.477 108 2985.35 7.470 494 2984.25 7.468 414 2980.96 7.459 105 2978.39 7.453 48 2975.46 7.446 59 2971.56 7.436 580 2970.09 7.432 508 2967.77 7.426 86 2967.04 7.425 87 2964.36 7.418 528 2963.62 7.416 666 2962.89 7.414 566 2962.16 7.412 551 2958.74 7.404 60 2958.50 7.403 60 2956.54 7.398 382 2954.96 7.394 359
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
