1,2-Difluorobenzene(367-11-3) 13C NMR
Product Name1,2-Difluorobenzene
CAS367-11-3
Molecular FormulaC6H4F2
Molecular Weight114.09
InChIInChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey GOYDNIKZWGIXJT-UHFFFAOYSA-N
SmilesC1(F)=CC=CC=C1F
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MassMS-NW-9256 o-difluorobenzene C6H4F2 (Mass of molecular ion: 114)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
31.0 1.3 37.0 1.0 38.0 1.5 39.0 1.0 50.0 4.5 57.0 5.7 62.0 1.8 63.0 13.4 64.0 2.2 68.0 2.1 69.0 1.2 70.0 2.0 74.0 1.1 75.0 3.2 81.0 2.3 88.0 14.2 94.0 2.4 95.0 1.6 113.0 2.7 114.0 100.0 115.0 6.6
400 MHz in CDCl3
parameter in CCl4
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1H NMR 399.65 MHz C6 H4 F2 0.05 ml : 0.5 ml CDCl3 o-difluorobenzene 
Assign. Shift(ppm)
A 7.124 B 7.053
Hz ppm Int.2867.43 7.175 59 2866.70 7.174 65 2863.40 7.165 341 2859.62 7.156 415 2857.42 7.150 345 2856.93 7.149 372 2853.52 7.141 704 2850.22 7.132 555 2848.51 7.128 392 2847.78 7.126 557 2844.12 7.117 1000 2841.19 7.110 510 2839.36 7.105 309 2838.38 7.103 333 2834.84 7.094 525 2831.42 7.085 200 2828.00 7.077 189 2826.05 7.072 276 2824.34 7.068 692 2823.00 7.064 794 2822.14 7.062 831 2820.68 7.058 857 2819.09 7.054 481 2817.99 7.052 810 2817.63 7.051 823 2815.80 7.046 591 2814.58 7.043 699 2813.48 7.040 377 2812.74 7.039 491 2811.89 7.036 327 2811.04 7.034 361 2808.96 7.029 120 2807.74 7.026 77 2807.01 7.024 63 2804.81 7.019 54
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1H NMR 300 MHz C6 H4 F2 15 vol% in CCl4 o-difluorobenzene Parameter ppm Hz
D(A) 7.017 D(B) 7.101 D(X) -25.567 J(A,A') 7.69 J(A,B) 8.30 J(A,B') 1.62 J(A,X) 4.43 J(A,X') -1.45 J(A',B) 1.62 J(A',B') 8.30 J(A',X) -1.45 J(A',X') 4.43 J(B,B') 0.24 J(B,X) 10.38 J(B,X') 7.93 J(B',X) 7.93 J(B',X') 10.38 J(X,X') -21.16 ABRAHAM,R.J. &.COOPER,M.A. J.CHEM.SOC. B 1968, 1094 F-19 REFERENCE : C6F3CL3
Hz ppm Int.2149.11 7.164 22 2148.48 7.162 25 2144.96 7.150 231 2141.21 7.137 311 2139.05 7.130 241 2138.49 7.128 252 2136.77 7.123 235 2135.29 7.118 1000 2133.90 7.113 341 2131.88 7.106 266 2128.66 7.096 243 2127.25 7.091 473 2126.14 7.087 661 2124.92 7.083 406 2121.94 7.073 159 2117.57 7.059 417 2116.15 7.054 151 2114.84 7.049 391 2113.51 7.045 314 2112.31 7.041 510 2110.89 7.036 604 2106.49 7.022 530 2105.84 7.019 500 2104.83 7.016 941 2102.72 7.009 485 2101.23 7.004 465 2098.84 6.996 252 2097.42 6.991 589 2095.04 6.983 111
in CDCl3
liquid film
4880 A,200 M,liquid
