2,6-Difluoroiodobenzene(13697-89-7) 13C NMR
Product Name2,6-Difluoroiodobenzene
CAS13697-89-7
Molecular FormulaC6H3F2I
Molecular Weight239.99
InChIInChI=1S/C6H3F2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey VQMXWPLTZBKNEH-UHFFFAOYSA-N
SmilesC1(F)=CC=CC(F)=C1I
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MassMS2009-04020CW 1,3-difluoro-2-iodobenzene C6H3F2I (Mass of molecular ion: 240)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
28.0 1.7 31.0 1.5 37.0 1.5 50.0 1.8 56.0 1.0 57.0 1.4 61.0 2.8 62.0 5.3 63.0 28.9 64.0 1.6 68.0 4.7 69.0 2.0 74.0 3.7 75.0 1.2 81.0 2.8 86.0 1.0 87.0 2.3 92.0 2.4 93.0 6.8 94.0 3.0 112.0 5.4 113.0 57.5 114.0 3.8 120.0 5.1 127.0 5.8 240.0 100.0 241.0 15.6
in CDCl3
parameter in CDCl3
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1H NMR 300 MHz C6 H3 F2 I in CDCl3 1,3-difluoro-2-iodobenzene 
Parameter ppm Hz
D(A) 6.83 D(B) 7.25 J(A,A') 1.2 J(A,B) 8.4 J(A,X) 7.4 J(A,X') -1.3 J(A',B) 8.4 J(A',X) -1.3 J(A',X') 7.4 J(B,X) 6.4 J(B,X') 6.4 J(X,X') 2.3 ABRAHAM,R.J. & MACDONALD,D.B. J.CHEM.SOC. B 1967, 835
Hz ppm Int.2190.06 7.300 171 2183.47 7.278 391 2181.88 7.273 281 2181.49 7.272 276 2177.13 7.257 212 2175.09 7.250 693 2173.29 7.244 256 2169.25 7.231 228 2168.39 7.228 226 2166.75 7.222 425 2160.50 7.202 223 2059.36 6.865 180 2058.08 6.860 230 2056.05 6.853 947 2050.59 6.835 737 2049.27 6.831 879 2047.68 6.826 1000 2041.88 6.806 792 2039.86 6.800 230 2038.43 6.795 157
in CDCl3
Liquid film
