4'-Bromo-2'-fluoroacetanilide(326-66-9) IR2
Product Name4'-Bromo-2'-fluoroacetanilide
CAS326-66-9
Molecular FormulaC8H7BrFNO
Molecular Weight232.05
InChIInChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey BCYGKMDWQBWUSC-UHFFFAOYSA-N
SmilesC(NC1=CC=C(Br)C=C1F)(=O)C
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MassMS-IW-2667 4'-bromo-2'-fluoroacetanilide C8H7BrFNO (Mass of molecular ion: 231)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 3.0 31.0 2.9 37.0 1.4 38.0 2.2 39.0 2.3 41.0 1.0 42.0 2.3 43.0 64.8 44.0 1.9 50.0 2.9 51.0 1.9 52.0 2.0 54.5 1.3 56.0 2.4 57.0 7.3 61.0 2.3 62.0 3.1 63.0 7.8 64.0 1.7 68.0 1.3 74.0 1.5 75.0 1.4 80.0 1.3 81.0 7.9 82.0 8.6 83.0 16.4 84.0 2.5 89.0 1.5 90.0 10.0 91.0 1.4 93.0 1.0 94.0 2.7 107.0 1.1 108.0 3.9 109.0 8.6 110.0 21.0 111.0 10.7 151.0 1.3 153.0 1.4 155.0 3.5 161.0 5.3 163.0 5.0 188.0 1.5 189.0 100.0 190.0 8.6 191.0 97.6 192.0 7.0 204.0 1.0 231.0 17.1 232.0 1.6 233.0 16.8 234.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H7 Br F N O 0.035 g : 0.5 ml DMSO-d6 4'-bromo-2'-fluoroacetanilide 
Assign. Shift(ppm)
A 9.79 B 7.897 C 7.554 D 7.356 E 2.097 J(F-19,B)=8.5HZ J(F-19,C)=10.4HZ J(F-19,D)=1.2HZ J(B,D)=8.6HZ J(C,D)=2.2HZ
Hz ppm Int.3910.83 9.786 85 3164.98 7.920 51 3156.43 7.898 100 3147.89 7.877 55 3025.36 7.571 161 3023.07 7.565 168 3014.83 7.544 162 3012.70 7.539 170 2945.86 7.372 90 2944.64 7.369 109 2943.88 7.367 108 2942.66 7.364 100 2937.16 7.350 84 2936.10 7.347 102 2935.18 7.345 102 2933.96 7.342 94 838.17 2.098 1000
in DMSO-d6
KBr disc
nujol mull
