4'-FLUORO-2'-NITROACETANILIDE(448-39-5) 1H NMR
Product Name4'-FLUORO-2'-NITROACETANILIDE
CAS448-39-5
Molecular FormulaC8H7FN2O3
Molecular Weight198.15
InChIInChI=1S/C8H7FN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
InChIKey UZBZEUCQENVPQB-UHFFFAOYSA-N
SmilesC(NC1=CC=C(F)C=C1[N+]([O-])=O)(=O)C
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MassMS-IW-1753 4'-fluoro-2'-nitroacetanilide C8H7FN2O3 (Mass of molecular ion: 198)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.5 28.0 1.0 30.0 2.0 31.0 1.5 42.0 1.6 43.0 67.2 44.0 1.7 50.0 1.2 51.0 1.2 52.0 1.9 56.0 1.4 57.0 4.5 62.0 1.3 63.0 3.3 64.0 1.1 70.0 2.1 75.0 1.0 76.0 1.5 81.0 3.7 82.0 5.8 83.0 12.1 84.0 2.0 90.0 3.2 95.0 1.8 96.0 1.6 97.0 1.0 98.0 5.1 108.0 4.0 109.0 2.5 110.0 37.9 111.0 3.1 126.0 4.6 139.0 2.6 140.0 2.1 152.0 2.2 156.0 100.0 157.0 7.5 198.0 22.4 199.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 F N2 O3 0.036 g : 0.5 ml CDCl3 4'-fluoro-2'-nitroacetanilide 
Assign. Shift(ppm)
A 10.2 B 8.793 C 7.924 D 7.406 E 2.298
Hz ppm Int.3521.58 8.812 57 3516.39 8.799 58 3512.12 8.788 60 3506.93 8.776 59 3171.39 7.936 61 3168.33 7.928 64 3162.84 7.915 61 3159.79 7.907 62 2969.67 7.431 32 2969.21 7.430 31 2966.61 7.424 31 2966.16 7.422 30 2962.65 7.414 34 2962.19 7.412 34 2959.75 7.406 54 2959.14 7.405 36 2957.31 7.400 30 2953.34 7.390 31 2952.73 7.389 30 918.73 2.299 1000
in CDCl3
KBr disc
nujol mull
