2-Fluoro-5-nitroaniline(369-36-8) 13C NMR
Product Name2-Fluoro-5-nitroaniline
CAS369-36-8
Molecular FormulaC6H5FN2O2
Molecular Weight156.11
InChIInChI=1S/C6H5FN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
InChIKey KJVBJICWGQIMOZ-UHFFFAOYSA-N
SmilesC1(N)=CC([N+]([O-])=O)=CC=C1F
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MassMS-NW-9430 2-fluoro-5-nitroaniline C6H5FN2O2 (Mass of molecular ion: 156)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 3.3 28.0 5.8 30.0 1.9 31.0 2.6 33.0 1.6 37.0 1.3 38.0 2.6 39.0 6.5 41.0 1.4 50.0 1.7 51.0 4.1 52.0 4.8 56.0 1.9 57.0 16.8 58.0 1.1 59.0 1.8 61.0 2.0 62.0 3.8 63.0 19.0 64.0 2.9 65.0 2.0 70.0 2.3 71.0 1.9 72.0 1.0 76.0 1.0 78.0 1.6 80.0 1.0 81.0 5.8 82.0 7.7 83.0 53.6 84.0 7.1 89.0 2.3 90.0 37.9 91.0 2.9 97.0 1.1 98.0 16.4 99.0 1.1 106.0 1.4 108.0 1.3 109.0 6.0 110.0 56.0 111.0 4.3 126.0 11.8 140.0 1.2 156.0 100.0 157.0 7.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H5 F N2 O2 0.044 g : 0.5 ml CDCl3 2-fluoro-5-nitroaniline 
Assign. Shift(ppm)
A 7.667 B 7.591 C 7.085 D 4.12
Hz ppm Int.3069.70 7.681 734 3067.02 7.675 872 3062.13 7.663 753 3059.33 7.656 870 3041.75 7.612 469 3038.94 7.605 488 3037.72 7.601 554 3034.79 7.594 455 3032.84 7.589 552 3030.03 7.582 549 3028.81 7.579 587 3026.00 7.572 449 2845.46 7.120 28 2840.58 7.108 827 2831.54 7.086 957 2830.57 7.083 1000 2821.53 7.061 762 1646.48 4.120 530
in CDCl3
KBr disc
nujol mull
