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2-Fluoro-5-iodotoluene(452-68-6) 1H NMR
Product Name2-Fluoro-5-iodotoluene
CAS452-68-6
Molecular FormulaC7H6FI
Molecular Weight236.03
InChIInChI=1S/C7H6FI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKey DYQIYXDSKUUZRI-UHFFFAOYSA-N
SmilesC1(F)=CC=C(I)C=C1C
parameter neat
-
1H NMR 300 MHz C7 H6 F I neat 2-fluoro-5-iodotoluene 
Parameter ppm Hz
D(A) 7.302 D(B) 7.260 D(C) 6.583 D(D) 2.087 J(A,B) 2.79 J(A,C) 0.57 J(A,D) -0.73 J(A,X) 6.66 J(B,C) 8.58 J(B,D) -0.65 J(B,X) 4.48 J(C,D) 0.33 J(C,X) 9.08 J(D,X) 2.10 ALBRIKTSEN,P. &.HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)
Hz ppm Int.2195.51 7.318 120 2194.83 7.316 103 2193.37 7.311 145 2192.74 7.309 180 2188.66 7.296 142 2188.08 7.294 128 2186.04 7.287 237 2183.36 7.278 75 2182.64 7.275 88 2181.91 7.273 97 2181.18 7.271 87 2179.04 7.263 89 2178.31 7.261 120 2177.68 7.259 129 2177.10 7.257 108 2174.81 7.249 81 2174.23 7.247 91 2173.21 7.244 104 2172.63 7.242 88 2170.34 7.234 76 2169.81 7.233 78 1983.68 6.612 174 1974.79 6.583 318 1966.00 6.553 168 627.12 2.090 1000 625.18 2.084 978
