2-Bromo-4-fluoroaniline(1003-98-1) 13C NMR
Product Name2-Bromo-4-fluoroaniline
CAS1003-98-1
Molecular FormulaC6H5BrFN
Molecular Weight190.01
InChIInChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChIKey YLMFXCIATJJKQL-UHFFFAOYSA-N
SmilesC1(N)=CC=C(F)C=C1Br
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MassMS-IW-9274 2-bromo-4-fluoroaniline C6H5BrFN (Mass of molecular ion: 189)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 3.6 31.0 3.4 37.0 1.8 38.0 2.2 39.0 2.5 41.0 1.0 44.5 1.7 50.0 1.7 51.0 1.4 52.0 5.6 54.5 11.2 55.0 5.4 56.0 3.5 57.0 11.1 61.0 2.7 62.0 3.7 63.0 8.8 64.0 2.0 65.0 1.8 80.0 1.4 81.0 6.8 82.0 15.1 83.0 45.9 84.0 5.2 89.0 2.3 90.0 11.7 91.0 1.2 94.5 8.2 95.5 8.0 108.0 3.4 109.0 15.3 110.0 43.8 111.0 5.0 161.0 2.8 163.0 2.7 188.0 1.2 189.0 100.0 190.0 8.1 191.0 97.3 192.0 6.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H5 Br F N 0.05 ml : 0.5 ml CDCl3 2-bromo-4-fluoroaniline 
Assign. Shift(ppm)
A 7.150 B 6.829 C 6.659 D 3.92
Hz ppm Int.2863.04 7.164 914 2860.23 7.157 921 2854.98 7.144 892 2852.05 7.137 924 2739.75 6.856 519 2736.82 6.849 507 2731.69 6.836 664 2730.83 6.834 743 2728.76 6.828 624 2728.03 6.827 690 2722.90 6.814 634 2719.97 6.806 634 2667.97 6.676 994 2662.84 6.663 1000 2659.18 6.654 800 2654.05 6.641 779 1568.48 3.925 470
in CDCl3
liquid film
