1-Fluoro-2-iodobenzene(348-52-7) 13C NMR
Product Name1-Fluoro-2-iodobenzene
CAS348-52-7
Molecular FormulaC6H4FI
Molecular Weight222
InChIInChI=1S/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey TYHUGKGZNOULKD-UHFFFAOYSA-N
SmilesC1(F)=CC=CC=C1I
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MassMS-NW-9350 o-fluoroiodobenzene C6H4FI (Mass of molecular ion: 222)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.2 37.0 1.1 38.0 1.2 39.0 1.2 50.0 7.2 51.0 3.3 62.0 1.0 63.0 1.0 68.0 4.8 69.0 5.2 74.0 4.0 75.0 24.8 76.0 2.2 93.0 1.3 94.0 5.4 95.0 65.9 96.0 4.5 111.0 4.5 127.0 2.0 222.0 100.0 223.0 6.6
400 MHz in CDCl3
parameter in CCl4
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1H NMR 399.65 MHz C6 H4 F I 0.05 ml : 0.5 ml CDCl3 o-fluoroiodobenzene 
Assign. Shift(ppm)
A 7.713 B 7.275 C 7.029 D 6.865
Hz ppm Int.3090.70 7.734 481 3089.11 7.730 497 3084.35 7.718 507 3082.76 7.714 934 3081.18 7.710 587 3076.42 7.698 530 3074.83 7.694 553 2919.31 7.305 242 2917.72 7.301 253 2914.18 7.292 260 2912.48 7.288 346 2911.99 7.287 357 2911.13 7.285 373 2910.28 7.283 353 2909.42 7.280 339 2906.86 7.274 321 2906.01 7.272 364 2905.15 7.270 369 2904.30 7.268 434 2903.69 7.266 408 2902.10 7.262 343 2898.56 7.253 346 2896.97 7.249 324 2817.87 7.051 521 2816.41 7.048 575 2813.72 7.041 36 2809.57 7.031 903 2808.23 7.027 1000 2805.54 7.020 54 2804.08 7.017 36 2801.39 7.010 469 2800.05 7.007 489 2752.08 6.887 559 2750.61 6.883 553 2744.51 6.868 762 2743.04 6.864 794 2736.82 6.849 523 2735.35 6.845 520
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1H NMR 300 MHz C6 H4 F I 10 vol% in CCl4 o-fluoroiodobenzene Parameter ppm Hz
D(A) 7.70 D(B) 6.84 D(C) 7.25 D(D) 7.00 D(X) 20.95 J(A,B) 7.83 J(A,C) 1.64 J(A,D) 0.26 J(A,X) 6.30 J(B,C) 7.39 J(B,D) 1.43 J(B,X) -0.24 J(C,D) 8.22 J(C,X) 5.03 J(D,X) 7.94 ROARK,J.L. & SMITH,W.B. J.PHYS.CHEM. 73, 1046 (1969) F-19 REFERENCE : 1,1,2,2-TETRACHLORO-3,3,4,4-TETRAFLUOROCYCLOBUTANE
Hz ppm Int.2317.93 7.726 479 2316.31 7.721 492 2311.56 7.705 543 2310.05 7.700 1000 2308.51 7.695 560 2303.76 7.679 507 2302.15 7.674 533 2186.46 7.288 239 2184.83 7.283 238 2181.32 7.271 269 2179.61 7.265 361 2179.13 7.264 395 2178.24 7.261 401 2177.48 7.258 368 2176.62 7.255 350 2173.89 7.246 336 2173.24 7.244 391 2172.27 7.241 384 2171.65 7.239 426 2170.92 7.236 417 2169.24 7.231 343 2165.79 7.219 340 2164.21 7.214 328 2108.59 7.029 541 2107.15 7.024 580 2100.51 7.002 934 2099.02 6.997 990 2092.57 6.975 458 2090.96 6.970 476 2060.11 6.867 470 2058.75 6.862 519 2052.62 6.842 825 2051.16 6.837 862 2045.06 6.817 438 2043.52 6.812 462
in CDCl3
liquid film
