4,4'-Difluorodiphenylmethane(457-68-1) IR1
Product Name4,4'-Difluorodiphenylmethane
CAS457-68-1
Molecular FormulaC13H10F2
Molecular Weight204.22
InChIInChI=1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2
InChIKey DXQVFHQUHOFROC-UHFFFAOYSA-N
SmilesC(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1
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MassMS-NW-9456 bis(p-fluorophenyl)methane C13H10F2 (Mass of molecular ion: 204)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
39.0 1.2 51.0 1.0 57.0 3.7 63.0 2.0 75.0 1.7 81.0 2.8 82.0 2.3 83.0 7.7 89.0 1.6 91.0 3.6 91.5 2.5 92.0 3.2 100.5 2.4 101.0 2.3 102.0 2.6 107.0 6.9 108.0 9.3 109.0 28.2 110.0 2.2 133.0 1.6 151.0 1.3 157.0 1.3 164.0 1.0 165.0 1.1 170.0 2.5 171.0 1.8 177.0 1.1 181.0 2.4 182.0 1.3 183.0 25.5 184.0 9.4 185.0 4.4 188.0 2.6 189.0 3.5 199.0 1.3 200.0 1.3 201.0 22.0 202.0 6.3 203.0 75.2 204.0 100.0 205.0 13.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H10 F2 0.05 ml : 0.5 ml CDCl3 bis(p-fluorophenyl)methane 
Assign. Shift(ppm)
A 7.069 B 6.931 C 3.863 J(F-19,A)=5.2HZ J(F-19,B)=9.2HZ
Hz ppm Int.2836.06 7.097 40 2833.13 7.090 342 2830.93 7.084 154 2827.64 7.076 378 2824.22 7.067 524 2821.17 7.060 197 2818.85 7.054 517 2815.92 7.046 77 2781.37 6.960 73 2778.32 6.952 595 2776.25 6.947 187 2771.85 6.936 179 2769.53 6.930 1000 2767.46 6.925 237 2763.06 6.914 169 2760.86 6.909 491 2758.06 6.902 65 1543.82 3.863 633
in CDCl3
KBr disc
nujol mull
