2',4'-Dichloroacetophenone(2234-16-4) Raman
Product Name2',4'-Dichloroacetophenone
CAS2234-16-4
Molecular FormulaC8H6Cl2O
Molecular Weight189.04
InChIInChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
InChIKey XMCRWEBERCXJCH-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(Cl)C=C1Cl)C
-
MassMS-NW-2852 2',4'-dichloroacetophenone C8H6Cl2O (Mass of molecular ion: 188)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.9 28.0 1.4 37.0 1.4 42.0 1.2 43.0 27.8 44.0 1.0 49.0 1.2 50.0 4.4 51.0 1.4 61.0 1.4 62.0 1.6 63.0 1.9 73.0 2.6 74.0 9.5 75.0 10.7 84.0 2.4 85.0 2.1 86.0 1.1 86.5 1.2 89.0 1.8 109.0 11.4 110.0 4.9 111.0 5.3 112.0 1.7 125.0 1.1 138.0 1.0 145.0 24.7 146.0 2.9 147.0 15.7 148.0 1.7 149.0 2.5 173.0 100.0 174.0 7.7 175.0 64.1 176.0 5.0 177.0 10.4 188.0 16.1 189.0 1.5 190.0 10.4 192.0 1.6
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H6 Cl2 O 0.04 ml : 0.5 ml CDCl3 2',4'-dichloroacetophenone 
Assign. Shift(ppm)
A 7.53 B 7.43 C 7.32 D 2.635
Hz ppm Int.679.81 7.591 63 679.38 7.586 56 671.56 7.499 132 671.13 7.494 125 667.06 7.449 84 666.63 7.444 87 665.13 7.427 135 658.63 7.355 124 656.69 7.333 83 650.38 7.262 58 648.44 7.241 44 236.00 2.636 1000
in CDCl3
liquid film
4880 A,200 M,powder
