5-Fluoro-2-nitrotoluene (446-33-3) Raman
Product Name5-Fluoro-2-nitrotoluene
CAS446-33-3
Molecular FormulaC7H6FNO2
Molecular Weight155.13
InChIInChI=1S/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
InChIKey JHFOWEGCZWLHNW-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C(F)C=C1C
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MassMS-NW-5445 5-fluoro-2-nitrotoluene C7H6FNO2 (Mass of molecular ion: 155)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.0 27.0 1.4 28.0 4.4 29.0 1.6 30.0 3.5 31.0 3.1 33.0 1.1 37.0 1.7 38.0 2.6 39.0 9.8 50.0 5.5 51.0 8.1 52.0 1.5 56.0 1.5 57.0 17.1 58.0 1.1 59.0 5.6 61.0 2.4 62.0 5.9 63.0 14.2 64.0 2.0 68.0 1.6 69.0 1.8 70.0 2.6 71.0 1.3 74.0 2.3 75.0 3.8 76.0 1.0 77.0 7.6 81.0 6.9 82.0 6.2 83.0 71.9 84.0 7.8 85.0 1.4 86.0 1.5 87.0 1.3 89.0 6.6 90.0 6.9 94.0 1.7 95.0 7.4 96.0 4.8 97.0 4.1 105.0 1.1 107.0 17.2 108.0 7.5 109.0 34.6 110.0 30.3 111.0 6.4 125.0 1.5 138.0 100.0 139.0 9.2 155.0 12.5 156.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 F N O2 0.05 ml : 0.5 ml CDCl3 5-fluoro-2-nitrotoluene 
Assign. Shift(ppm)
A 8.060 B 7.04 C 7.04 D 2.625
Hz ppm Int.3229.25 8.081 37 3228.03 8.078 77 3226.56 8.074 61 3222.90 8.065 86 3220.21 8.058 82 3218.63 8.054 84 3217.41 8.051 39 3215.94 8.047 36 3213.13 8.040 86 2819.70 7.056 220 2819.09 7.054 232 2818.48 7.053 148 2817.63 7.051 87 2814.58 7.043 31 2813.96 7.042 35 2811.40 7.035 265 2809.33 7.030 114 2808.59 7.028 120 2804.32 7.017 78 2803.83 7.016 79 2801.51 7.010 41 2801.03 7.009 39 1049.19 2.626 1000
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1H NMR 89.56 MHz C7 H6 F N O2 0.04 ml : 0.5 ml CDCl3 5-fluoro-2-nitrotoluene Assign. Shift(ppm)
A 8.05 B 7.03 C 7.02 D 2.626
Hz ppm Int.728.94 8.140 65 723.75 8.082 76 719.19 8.031 105 713.88 7.971 93 636.44 7.107 135 635.81 7.100 167 635.06 7.091 113 634.31 7.083 63 633.56 7.075 80 632.88 7.067 79 632.25 7.060 50 631.75 7.054 46 631.13 7.048 38 628.88 7.022 124 628.38 7.017 117 627.69 7.009 77 627.00 7.001 105 626.31 6.994 109 624.69 6.976 79 624.00 6.968 82 622.38 6.950 37 621.81 6.943 70 621.25 6.937 71 235.19 2.627 1000
in CDCl3
liquid film
4880 A,200 M,liquid
