1-Bromo-3,4-difluorobenzene(348-61-8) 13C NMR
Product Name1-Bromo-3,4-difluorobenzene
CAS348-61-8
Molecular FormulaC6H3BrF2
Molecular Weight192.99
InChIInChI=1S/C6H3BrF2/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey YMQPKONILWWJQG-UHFFFAOYSA-N
SmilesC1(F)=CC=C(Br)C=C1F
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MassMS-NW-8612 4-bromo-1,2-difluorobenzene C6H3BrF2 (Mass of molecular ion: 192)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
31.0 5.8 37.0 4.7 38.0 2.4 49.0 2.0 50.0 6.8 56.0 3.4 57.0 2.8 61.0 7.3 62.0 13.2 63.0 48.5 64.0 2.7 68.0 8.6 69.0 3.3 73.0 2.0 74.0 6.5 75.0 3.2 79.0 1.3 80.0 1.9 81.0 4.7 86.0 1.0 87.0 2.9 92.0 3.7 93.0 8.3 94.0 4.4 96.0 3.6 97.0 3.4 111.0 1.0 112.0 8.2 113.0 100.0 114.0 6.5 192.0 97.1 193.0 6.8 194.0 94.6 195.0 6.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Br F2 0.02 ml : 0.3 ml CDCl3 4-bromo-1,2-difluorobenzene 
Assign. Shift(ppm)
A 7.318 B 7.208 C 7.044 3-BOND COUPLING J(B,F-19)=2.0HZ 4-BOND COUPLING J(B,F-19)=4.4HZ
Hz ppm Int.2977.17 7.450 33 2934.20 7.342 584 2931.76 7.336 626 2927.12 7.325 608 2924.56 7.318 1000 2922.12 7.312 650 2917.36 7.300 574 2915.04 7.294 637 2911.62 7.286 38 2897.09 7.250 31 2896.48 7.248 32 2894.17 7.242 39 2892.46 7.238 46 2892.21 7.237 46 2889.40 7.230 368 2887.70 7.226 400 2887.08 7.225 392 2885.38 7.220 612 2883.79 7.216 420 2883.06 7.214 393 2881.35 7.210 379 2880.62 7.208 503 2878.91 7.204 509 2878.30 7.203 502 2876.59 7.198 766 2875.00 7.194 499 2874.27 7.192 477 2872.56 7.188 414 2869.38 7.180 32 2831.91 7.086 37 2827.64 7.076 661 2823.49 7.065 56 2819.34 7.055 774 2817.63 7.051 737 2812.99 7.039 70 2810.67 7.033 571 2809.33 7.030 796 2800.66 7.008 515
in CDCl3
liquid film
