4-Fluoro-3-nitrotoluene(446-11-7) MS
Product Name4-Fluoro-3-nitrotoluene
CAS446-11-7
Molecular FormulaC7H6FNO2
Molecular Weight155.13
InChIInChI=1S/C7H6FNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey OORBDHOQLZRIQR-UHFFFAOYSA-N
SmilesC1(F)=CC=C(C)C=C1[N+]([O-])=O
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MassMS-NW-7391 4-fluoro-3-nitrotoluene C7H6FNO2 (Mass of molecular ion: 155)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.9 28.0 2.8 30.0 12.9 31.0 3.9 37.0 1.5 38.0 2.4 39.0 11.0 46.0 1.3 50.0 6.1 51.0 9.6 52.0 1.9 53.0 1.1 56.0 2.5 57.0 22.0 58.0 1.2 59.0 8.8 61.0 3.0 62.0 6.2 63.0 16.5 64.0 1.9 65.0 1.2 68.0 2.1 69.0 1.6 70.0 2.2 71.0 1.8 74.0 2.5 75.0 2.7 77.0 18.9 78.0 2.3 80.0 1.8 81.0 11.1 82.0 3.8 83.0 77.7 84.0 4.8 85.0 1.4 86.0 1.7 87.0 1.8 88.0 1.0 89.0 9.1 90.0 1.3 94.0 1.4 95.0 11.8 96.0 5.3 97.0 38.9 98.0 3.4 105.0 2.0 107.0 20.8 108.0 14.1 109.0 62.6 110.0 5.6 124.0 1.0 125.0 12.6 126.0 1.2 138.0 1.5 139.0 3.7 154.0 1.4 155.0 100.0 156.0 8.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 F N O2 saturated in CDCl3 4-fluoro-3-nitrotoluene 
Assign. Shift(ppm)
A 7.86 B 7.42 C 7.18 D 2.418
Hz ppm Int.707.88 7.904 119 706.19 7.886 119 701.13 7.829 115 699.06 7.806 112 669.25 7.473 72 668.56 7.465 73 666.81 7.446 74 666.31 7.440 85 665.13 7.427 115 664.50 7.420 115 663.81 7.412 86 662.88 7.402 113 662.25 7.395 112 661.44 7.386 82 660.75 7.378 106 660.00 7.370 99 659.44 7.364 74 659.00 7.359 70 658.38 7.352 90 657.81 7.345 87 651.00 7.269 618 642.56 7.175 120 640.50 7.152 203 631.94 7.057 100 216.94 2.423 1000 216.44 2.417 996
in CDCl3
KBr disc
nujol mull
