4-Fluoro-2-nitrobenzeneamine(364-78-3) 13C NMR
Product Name4-Fluoro-2-nitrobenzeneamine
CAS364-78-3
Molecular FormulaC6H5FN2O2
Molecular Weight156.11
InChIInChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey PUGDHSSOXPHLPT-UHFFFAOYSA-N
SmilesC1(N)=CC=C(F)C=C1[N+]([O-])=O
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MassMS-IW-9728 4-fluoro-2-nitroaniline C6H5FN2O2 (Mass of molecular ion: 156)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 5.2 30.0 2.7 31.0 3.4 33.0 1.6 37.0 1.2 38.0 1.9 39.0 3.6 50.0 1.6 51.0 3.3 52.0 5.4 56.0 2.5 57.0 14.5 59.0 1.0 61.0 1.5 62.0 2.8 63.0 10.6 64.0 2.5 65.0 1.9 70.0 2.8 71.0 1.9 76.0 2.3 78.0 1.4 81.0 6.1 82.0 11.4 83.0 57.7 84.0 7.8 89.0 1.5 90.0 12.7 91.0 1.3 95.0 2.8 96.0 2.1 97.0 1.2 98.0 6.6 108.0 3.1 109.0 6.7 110.0 61.8 111.0 4.5 122.0 1.0 126.0 5.2 138.0 1.0 139.0 3.1 140.0 1.5 156.0 100.0 157.0 8.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H5 F N2 O2 0.040 g : 0.5 ml CDCl3 4-fluoro-2-nitroaniline 
Assign. Shift(ppm)
A 7.810 B 7.185 C 6.835 D 6.06
Hz ppm Int.3127.44 7.826 946 3124.51 7.819 975 3118.41 7.803 974 3115.48 7.796 949 2881.35 7.210 520 2878.42 7.203 549 2874.15 7.192 678 2871.83 7.186 900 2869.38 7.180 705 2865.11 7.170 620 2862.06 7.162 562 2738.40 6.852 950 2733.76 6.841 1000 2729.25 6.830 901 2724.61 6.818 834 2422.24 6.061 748
in CDCl3
KBr disc
nujol mull
