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2-Fluoro-4-iodotoluene(39998-81-7) 1H NMR
Product Name2-Fluoro-4-iodotoluene
CAS39998-81-7
Molecular FormulaC7H6FI
Molecular Weight236.03
InChIInChI=1S/C7H6FI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKey QZLWTFTXGKKCHZ-UHFFFAOYSA-N
SmilesC1(C)=CC=C(I)C=C1F
parameter neat
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1H NMR 300 MHz C7 H6 F I neat 2-fluoro-4-iodotoluene 
Parameter ppm Hz
D(A) 7.125 D(B) 7.140 D(C) 6.680 D(D) 2.081 J(A,B) 1.22 J(A,C) 0.22 J(A,D) 0.37 J(A,X) 9.07 J(B,C) 8.04 J(B,D) 0.40 J(B,X) 0.46 J(C,D) -0.77 J(C,X) 7.93 J(D,X) 2.12 ALBRIKTSEN,P. & HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)
Hz ppm Int.2146.11 7.154 228 2142.53 7.142 225 2141.59 7.139 236 2138.58 7.129 247 2137.40 7.125 204 2133.35 7.111 224 2132.60 7.109 221 2012.37 6.708 134 2011.61 6.705 134 2007.85 6.693 19 2007.14 6.690 19 2004.08 6.680 252 1996.27 6.654 123 1995.76 6.653 128 625.38 2.085 942 623.31 2.078 1000
