4-Bromo-2-chloro-1-fluorobenzene(60811-21-4) 13C NMR
Product Name4-Bromo-2-chloro-1-fluorobenzene
CAS60811-21-4
Molecular FormulaC6H3BrClF
Molecular Weight209.44
InChIInChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey CJTIWGBQCVYTQE-UHFFFAOYSA-N
SmilesC1(F)=CC=C(Br)C=C1Cl
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MassMS-IW-9543 4-bromo-2-chloro-1-fluorobenzene C6H3BrClF (Mass of molecular ion: 208)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 2.8 36.0 1.4 37.0 4.1 38.0 2.1 47.0 1.5 49.0 2.1 50.0 9.2 56.0 1.0 61.0 4.3 62.0 3.5 63.0 3.7 64.0 3.6 65.0 1.1 68.0 8.7 69.0 1.8 73.0 3.5 74.0 11.8 75.0 3.8 84.0 1.7 86.0 1.8 87.0 1.5 92.0 4.3 93.0 16.4 94.0 18.3 95.0 1.6 103.0 1.2 104.0 6.3 105.0 7.9 106.0 1.9 109.0 12.3 110.0 1.1 111.0 4.1 128.0 3.4 129.0 82.1 130.0 6.9 131.0 26.3 132.0 1.8 208.0 77.0 209.0 5.3 210.0 100.0 211.0 6.6 212.0 23.9 213.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Br Cl F 0.05 ml : 0.5 ml CDCl3 4-bromo-2-chloro-1-fluorobenzene 
Assign. Shift(ppm)
A 7.507 B 7.319 C 6.998
Hz ppm Int.3004.76 7.519 580 3002.32 7.513 610 2998.17 7.502 580 2995.73 7.496 598 2936.28 7.348 26 2933.23 7.340 339 2930.79 7.334 333 2928.96 7.329 351 2926.51 7.323 329 2924.44 7.318 387 2922.00 7.312 373 2920.17 7.307 381 2917.72 7.301 346 2809.20 7.030 27 2805.42 7.020 597 2802.98 7.014 43 2796.75 6.998 1000 2790.41 6.983 43 2787.96 6.977 528
in CDCl3
liquid film
