3-Chlorobenzoyl chloride(618-46-2) 1H NMR
Product Name3-Chlorobenzoyl chloride
CAS618-46-2
Molecular FormulaC7H4Cl2O
Molecular Weight175.01
InChIInChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
InChIKey WHIHIKVIWVIIER-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=CC(Cl)=C1
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MassMS-NW-5124 m-chlorobenzoyl chloride C7H4Cl2O (Mass of molecular ion: 174)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 1.3 36.0 2.3 37.0 3.7 37.5 3.5 38.0 7.5 49.0 2.5 50.0 16.2 51.0 5.0 55.5 4.4 56.5 1.3 61.0 1.8 69.5 7.1 70.5 2.4 73.0 3.1 74.0 9.3 75.0 25.5 76.0 6.5 84.0 1.6 85.0 3.3 87.0 1.0 110.0 1.1 111.0 47.6 112.0 3.5 113.0 15.1 114.0 1.1 139.0 100.0 140.0 7.9 141.0 31.4 142.0 2.6 174.0 10.8 175.0 1.1 176.0 7.2 178.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H4 Cl2 O 0.04 ml : 0.5 ml CDCl3 m-chlorobenzoyl chloride 
Assign. Shift(ppm)
A 8.05 B 8.00 C 7.633 D 7.471
Hz ppm Int.726.50 8.112 36 726.06 8.107 40 723.69 8.081 229 722.88 8.072 371 721.94 8.061 731 721.13 8.052 1000 719.94 8.039 883 719.56 8.035 881 717.75 8.015 147 716.50 8.001 89 715.38 7.988 99 713.75 7.970 438 712.25 7.953 617 710.56 7.934 342 709.00 7.917 68 706.88 7.893 30 692.38 7.731 41 691.06 7.717 180 689.50 7.699 258 687.50 7.677 212 685.94 7.660 45 683.00 7.627 533 681.56 7.611 561 681.06 7.605 578 679.50 7.588 418 675.06 7.538 577 674.25 7.529 531 671.88 7.503 62 671.19 7.495 57 670.81 7.491 54 670.06 7.482 69 667.69 7.456 432 667.00 7.448 579 666.19 7.439 234 663.94 7.414 42 662.56 7.398 37 662.13 7.394 39 659.81 7.368 172 659.00 7.359 183
in CDCl3
liquid film
