2-Fluoro-4-nitrotoluene(1427-07-2) IR1
Product Name2-Fluoro-4-nitrotoluene
CAS1427-07-2
Molecular FormulaC7H6FNO2
Molecular Weight155.13
InChIInChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChIKey WIQISTBTOQNVCE-UHFFFAOYSA-N
SmilesC1(C)=CC=C([N+]([O-])=O)C=C1F
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MassMS-IW-3077 2-fluoro-4-nitrotoluene C7H6FNO2 (Mass of molecular ion: 155)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.4 28.0 3.2 30.0 9.9 31.0 2.7 37.0 1.2 38.0 2.4 39.0 10.3 50.0 6.4 51.0 9.0 52.0 1.4 56.0 1.6 57.0 18.5 58.0 1.0 59.0 7.3 61.0 2.6 62.0 6.0 63.0 15.7 64.0 1.6 68.0 1.8 69.0 1.8 70.0 2.2 71.0 1.3 74.0 2.5 75.0 2.7 76.0 1.0 77.0 10.7 78.0 1.0 80.0 1.3 81.0 8.9 82.0 3.0 83.0 71.0 84.0 4.2 85.0 1.2 86.0 1.7 87.0 1.6 89.0 8.5 90.0 1.0 94.0 1.0 95.0 6.6 96.0 4.0 97.0 19.0 98.0 1.3 105.0 1.4 107.0 17.6 108.0 6.2 109.0 100.0 110.0 8.3 112.0 2.4 125.0 19.9 126.0 1.5 139.0 1.8 155.0 89.4 156.0 7.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 F N O2 0.047 g : 0.5 ml CDCl3 2-fluoro-4-nitrotoluene 
Assign. Shift(ppm)
A 7.950 B 7.885 C 7.369 D 2.392 J(A,B)=2.2HZ J(A,C)=8.3HZ J(B,F-19)=9.3HZ J(D,F-19)=2.2HZ
Hz ppm Int.3183.35 7.966 126 3181.03 7.960 154 3174.93 7.945 142 3172.73 7.939 175 3157.71 7.902 154 3155.52 7.896 142 3151.49 7.886 28 3148.44 7.878 157 3146.24 7.873 151 2953.61 7.391 135 2953.13 7.390 141 2945.31 7.370 258 2937.74 7.351 133 2937.01 7.349 137 957.64 2.397 963 957.28 2.396 964 955.44 2.391 1000
in CDCl3
KBr disc
nujol mull
