2-Chlorofluorobenzene(348-51-6) 13C NMR
Product Name2-Chlorofluorobenzene
CAS348-51-6
Molecular FormulaC6H4ClF
Molecular Weight130.55
InChIInChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey ZCJAYDKWZAWMPR-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC=C1F
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MassMS-NW-1003 o-chlorofluorobenzene C6H4ClF (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
28.0 1.1 31.0 1.2 37.0 1.7 38.0 1.1 39.0 1.0 49.0 1.1 50.0 5.2 51.0 2.1 61.0 1.3 62.0 1.2 63.0 1.7 65.0 2.7 68.0 3.6 69.0 3.8 70.0 1.1 73.0 1.3 74.0 3.8 75.0 13.4 76.0 1.1 93.0 2.3 94.0 6.2 95.0 39.6 96.0 2.6 104.0 1.3 130.0 100.0 131.0 6.8 132.0 31.9 133.0 2.1
parameter in CCl4
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 300 MHz C6 H4 Cl F 10 vol% in CCl4 o-chlorofluorobenzene 
Parameter ppm Hz
D(A) 7.34 D(B) 7.01 D(C) 7.16 D(D) 7.07 D(X) -1.18 J(A,B) 8.01 J(A,C) 1.70 J(A,D) 0.31 J(A,X) 7.33 J(B,C) 7.47 J(B,D) 1.46 J(B,X) -0.87 J(C,D) 8.29 J(C,X) 4.79 J(D,X) 9.10 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.2210.63 7.369 491 2208.97 7.363 520 2202.95 7.343 1000 2201.35 7.338 948 2195.20 7.317 591 2193.59 7.312 675 2159.97 7.200 209 2158.26 7.194 205 2154.84 7.183 273 2152.81 7.176 429 2151.67 7.172 466 2151.07 7.170 376 2149.98 7.167 414 2146.99 7.157 463 2145.42 7.151 538 2144.45 7.148 608 2142.73 7.142 519 2139.41 7.131 538 2137.85 7.126 496 2129.84 7.099 640 2128.24 7.094 808 2120.81 7.069 851 2118.89 7.063 826 2112.93 7.043 490 2111.89 7.040 478 2110.63 7.035 888 2108.87 7.030 452 2104.47 7.015 485 2103.87 7.013 558 2103.26 7.011 591 2102.44 7.008 867 2100.98 7.003 471 2096.54 6.988 365 2095.33 6.984 344 2094.47 6.982 326 2093.69 6.979 302
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1H NMR 89.56 MHz C6 H4 Cl F 0.02 ml : 0.5 ml CDCl3 o-chlorofluorobenzene Assign. Shift(ppm)
A 6.96 to 7.49
Hz ppm Int.668.81 7.468 191 667.94 7.459 186 663.25 7.406 221 662.31 7.396 197 661.50 7.387 338 660.63 7.377 356 655.81 7.323 179 653.56 7.298 393 651.81 7.278 187 649.94 7.258 256 648.88 7.246 166 647.50 7.230 172 646.81 7.223 212 646.06 7.214 349 645.63 7.209 533 644.69 7.199 273 643.88 7.190 926 643.06 7.181 470 640.75 7.155 558 639.69 7.143 490 638.31 7.128 1000 637.56 7.119 316 636.69 7.110 677 634.94 7.090 459 633.69 7.076 359 632.38 7.061 440 630.56 7.041 166 629.81 7.033 170 629.25 7.027 292 626.13 6.992 173
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1H NMR 399.65 MHz C6 H4 Cl F 0.05 ml : 0.5 ml CDCl3 o-chlorofluorobenzene Assign. Shift(ppm)
A 7.361 B 7.198 C 7.102 D 7.050 J(A,B)=1.7HZ J(A,C)=0.4HZ J(A,D)=8.1HZ J(A,F-19)=7.4HZ J(B,C)=8.3HZ J(B,D)=7.4HZ J(B,F-19)=4.9HZ J(C,D)=1.6HZ J(C,F-19)=9.3HZ J(D,F-19)=0.7HZ
Hz ppm Int.2955.81 7.396 36 2954.83 7.394 36 2950.81 7.384 623 2950.44 7.383 630 2949.10 7.380 708 2948.73 7.379 603 2943.36 7.365 789 2942.75 7.364 910 2941.65 7.361 873 2941.16 7.360 907 2935.42 7.345 701 2935.06 7.345 692 2933.72 7.341 742 2933.35 7.340 716 2929.20 7.330 36 2893.19 7.240 41 2891.97 7.237 30 2889.04 7.229 370 2887.45 7.225 381 2884.28 7.218 391 2882.57 7.213 448 2881.71 7.211 582 2880.74 7.209 590 2880.00 7.207 564 2879.15 7.205 624 2876.83 7.199 563 2875.85 7.196 605 2875.12 7.195 581 2874.27 7.192 640 2873.41 7.190 803 2871.70 7.186 705 2868.53 7.178 737 2866.82 7.174 679 2863.04 7.164 32 2862.55 7.163 30 2861.57 7.161 31 2858.03 7.152 31 2851.44 7.135 41 2847.53 7.126 766 2845.95 7.122 901 2843.14 7.115 89 2842.65 7.113 91 2842.16 7.112 92 2841.67 7.111 94 2838.99 7.104 677 2838.38 7.103 792 2838.01 7.102 915 2837.65 7.101 788 2836.79 7.099 987 2836.43 7.098 935 2834.11 7.092 99 2829.71 7.081 604 2828.49 7.078 599 2828.13 7.077 600 2826.05 7.072 741 2825.20 7.070 729 2824.46 7.068 655 2823.73 7.066 619 2820.92 7.059 91 2818.60 7.053 720 2817.99 7.052 1000 2817.26 7.050 953 2816.41 7.048 886 2815.67 7.046 683 2812.87 7.039 80 2812.26 7.037 79 2810.67 7.033 551 2809.94 7.032 522 2809.08 7.029 517 2808.35 7.028 475 2805.42 7.020 41 2804.81 7.019 41 2804.08 7.017 34 2803.34 7.015 30
in CDCl3
liquid film
4880 A,100M,liquid
