4,4'-Dichlorobenzophenone(90-98-2) IR1
Product Name4,4'-Dichlorobenzophenone
CAS90-98-2
Molecular FormulaC13H8Cl2O
Molecular Weight251.11
InChIInChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey OKISUZLXOYGIFP-UHFFFAOYSA-N
SmilesC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)=O
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MassMS-NW-6485 4,4'-dichlorobenzophenone C13H8Cl2O (Mass of molecular ion: 250)
Source Temperature: 130 °C Sample Temperature: 70 °C Direct, 75 eV
17.0 1.1 18.0 5.1 28.0 2.0 36.0 1.0 50.0 5.2 51.0 2.8 74.0 3.1 75.0 15.3 76.0 4.5 85.0 1.6 93.0 1.4 104.0 1.1 111.0 26.9 112.0 4.0 113.0 8.3 139.0 100.0 140.0 8.1 141.0 32.6 142.0 2.6 152.0 2.0 215.0 8.7 216.0 1.4 217.0 3.0 250.0 29.6 251.0 4.6 252.0 19.7 253.0 3.0 254.0 3.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H8 Cl2 O 0.048 g : 0.5 ml CDCl3 4,4'-dichlorobenzophenone 
Assign. Shift(ppm)
A 7.712 B 7.469
Hz ppm Int.698.63 7.801 60 696.50 7.777 584 695.94 7.771 325 694.38 7.754 198 689.94 7.704 253 687.69 7.679 974 685.75 7.657 196 674.00 7.526 171 672.06 7.505 1000 669.81 7.479 275 668.63 7.466 33 665.31 7.429 186 663.81 7.412 348 663.19 7.405 572 661.13 7.382 71
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
