4,4'-Dichlorobenzhydrol(90-97-1) MS
Product Name4,4'-Dichlorobenzhydrol
CAS90-97-1
Molecular FormulaC13H10Cl2O
Molecular Weight253.12
InChIInChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey PHUYGURFBULKPA-UHFFFAOYSA-N
SmilesC(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1
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MassMS-NW-9786 bis(p-chlorophenyl)methanol C13H10Cl2O (Mass of molecular ion: 252)
Source Temperature: 150 °C Sample Temperature: 90 °C Direct, 75 eV
17.0 1.2 18.0 6.3 29.0 1.0 50.0 2.7 51.0 5.0 63.0 1.6 74.0 1.4 75.0 7.1 76.0 3.8 77.0 22.8 78.0 2.6 81.5 1.1 82.0 1.7 105.0 5.6 111.0 10.9 112.0 10.2 113.0 10.9 114.0 3.9 115.0 2.5 139.0 100.0 140.0 12.5 141.0 41.9 142.0 4.7 143.0 3.3 151.0 1.0 152.0 3.9 153.0 1.7 163.0 2.3 164.0 2.2 165.0 6.2 166.0 1.0 199.0 3.4 200.0 1.1 201.0 1.5 217.0 12.1 218.0 1.8 219.0 3.9 235.0 1.8 237.0 1.1 251.0 2.9 252.0 18.6 253.0 4.5 254.0 11.9 255.0 2.0 256.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H10 Cl2 O 0.029 g : 0.5 ml CDCl3 bis(p-chlorophenyl)methanol 
Assign. Shift(ppm)
A 7.292 B 7.258 C 5.744 D 2.5
Hz ppm Int.2922.61 7.313 40 2920.65 7.309 303 2918.46 7.303 140 2914.31 7.293 203 2911.99 7.287 1000 2910.16 7.282 225 2905.27 7.270 164 2903.32 7.265 870 2901.12 7.260 215 2894.78 7.244 306 2295.65 5.745 272
in CDCl3
KBr disc
nujol mull
