2,4-Dichlorobenzoyl chloride(89-75-8) MS
Product Name2,4-Dichlorobenzoyl chloride
CAS89-75-8
Molecular FormulaC7H3Cl3O
Molecular Weight209.46
InChIInChI=1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H
InChIKey CEOCVKWBUWKBKA-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=C(Cl)C=C1Cl
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MassMS-NW-5123 2,4-dichlorobenzoyl chloride C7H3Cl3O (Mass of molecular ion: 208)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 1.5 35.0 1.1 36.0 3.0 37.0 4.3 38.0 1.6 49.0 2.2 50.0 5.9 51.0 1.1 54.5 3.4 55.0 3.7 55.5 1.3 56.0 1.2 60.0 1.0 61.0 1.6 72.0 1.6 72.5 2.7 73.0 4.4 73.5 1.6 74.0 15.4 75.0 11.6 84.0 4.4 85.0 2.5 86.0 1.6 86.5 5.6 87.0 1.3 87.5 3.9 90.0 1.4 91.0 1.3 108.0 1.2 109.0 15.3 110.0 5.7 111.0 5.5 112.0 1.6 145.0 26.9 146.0 2.5 147.0 17.2 148.0 1.3 149.0 2.8 173.0 100.0 174.0 8.1 175.0 63.7 176.0 5.0 177.0 10.7 180.0 1.0 182.0 1.0 208.0 2.7 210.0 2.4
parameter in CDCl3
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1H NMR 300 MHz C7 H3 Cl3 O 0.04 ml : 0.5 ml CDCl3 2,4-dichlorobenzoyl chloride 
Parameter ppm Hz
D(A) 8.060 D(B) 7.505 D(C) 7.404 J(A,B) 0.43 J(A,C) 8.50 J(B,C) 2.06
Hz ppm Int.2422.27 8.074 853 2413.80 8.046 936 2252.46 7.508 876 2250.61 7.502 1000 2226.35 7.421 696 2224.30 7.414 604 2217.85 7.393 631 2215.81 7.386 562
in CDCl3
liquid film
