4-Methyl-2-nitrobenzonitrile(26830-95-5) 1H NMR
Product Name4-Methyl-2-nitrobenzonitrile
CAS26830-95-5
Molecular FormulaC8H6N2O2
Molecular Weight162.15
InChIInChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3
InChIKey QGBSLPHQCUIZKK-UHFFFAOYSA-N
SmilesC(#N)C1=CC=C(C)C=C1[N+]([O-])=O
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MassMS-NW-7647 4-methyl-2-nitrobenzonitrile C8H6N2O2 (Mass of molecular ion: 162)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.5 26.0 1.3 27.0 4.9 28.0 3.9 30.0 43.0 37.0 4.5 38.0 5.9 39.0 26.4 40.0 1.9 41.0 2.5 46.0 1.2 49.0 1.3 50.0 8.7 51.0 11.4 52.0 4.5 53.0 2.5 61.0 5.0 62.0 10.6 63.0 28.8 64.0 12.1 65.0 6.5 66.0 2.0 74.0 2.2 75.0 4.9 76.0 5.4 77.0 27.4 78.0 5.3 85.0 1.0 86.0 2.0 87.0 4.2 88.0 9.2 89.0 100.0 90.0 21.7 91.0 1.6 99.0 1.6 102.0 2.8 103.0 1.5 104.0 27.8 105.0 5.7 114.0 5.2 115.0 5.6 116.0 80.8 117.0 8.0 118.0 2.0 131.0 1.2 132.0 16.7 133.0 1.6 146.0 1.9 162.0 89.2 163.0 8.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H6 N2 O2 0.040 g : 0.5 ml CDCl3 4-methyl-2-nitrobenzonitrile 
Assign. Shift(ppm)
A 8.154 B 7.818 C 7.668 D 2.597
Hz ppm Int.3259.28 8.156 221 3258.54 8.154 218 3129.15 7.830 217 3121.22 7.810 272 3069.34 7.681 121 3068.60 7.679 140 3067.75 7.677 136 3067.02 7.675 112 3061.40 7.661 93 3060.79 7.659 108 3059.94 7.657 106 3059.20 7.655 87 1037.96 2.598 1000
in CDCl3
KBr disc
nujol mull
