3,4-Dichlorobenzoyl chloride(3024-72-4) 1H NMR
Product Name3,4-Dichlorobenzoyl chloride
CAS3024-72-4
Molecular FormulaC7H3Cl3O
Molecular Weight209.46
InChIInChI=1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
InChIKey VTXNOVCTHUBABW-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC=C(Cl)C(Cl)=C1
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MassMS-NW-2900 3,4-dichlorobenzoyl chloride C7H3Cl3O (Mass of molecular ion: 208)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 1.3 36.0 2.0 37.0 4.4 38.0 1.8 49.0 2.5 50.0 5.6 51.0 1.0 54.0 3.4 55.0 3.3 56.0 1.1 60.0 1.1 61.0 2.1 62.0 1.2 72.0 2.1 72.5 1.3 73.0 4.7 74.0 16.3 75.0 14.1 84.0 5.0 85.0 2.6 86.0 4.3 87.0 2.5 108.0 1.1 109.0 17.0 110.0 6.0 111.0 6.2 112.0 1.9 123.0 1.3 138.0 1.0 139.0 1.3 145.0 36.1 146.0 2.8 147.0 22.5 148.0 1.6 149.0 3.7 173.0 100.0 174.0 8.6 175.0 66.0 176.0 5.3 177.0 10.7 193.0 8.8 195.0 8.7 197.0 2.7 208.0 9.9 210.0 9.8 212.0 3.1 228.0 1.1 230.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H3 Cl3 O 0.05 ml : 0.5 ml CDCl3 3,4-dichlorobenzoyl chloride 
Assign. Shift(ppm)
A 8.165 B 7.928 C 7.599
Hz ppm Int.732.50 8.179 754 732.13 8.175 624 730.38 8.156 958 730.00 8.151 760 728.25 8.132 38 716.19 7.997 538 714.06 7.973 387 707.75 7.903 790 705.56 7.879 711 685.81 7.658 27 683.94 7.637 1000 675.50 7.543 627 675.13 7.539 518
in CDCl3
liquid film
