4-Methyl-3-nitroaniline(119-32-4) 13C NMR
Product Name4-Methyl-3-nitroaniline
CAS119-32-4
Molecular FormulaC7H8N2O2
Molecular Weight152.15
InChIInChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3
InChIKey GDIIPKWHAQGCJF-UHFFFAOYSA-N
SmilesC1(N)=CC=C(C)C([N+]([O-])=O)=C1
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MassMS-NW-1713 3-nitro-p-toluidine C7H8N2O2 (Mass of molecular ion: 152)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.3 26.0 1.7 27.0 8.7 28.0 18.0 29.0 1.3 30.0 6.2 37.0 1.7 38.0 4.2 39.0 17.8 40.0 3.5 41.0 8.8 42.0 5.5 49.0 1.1 50.0 9.8 51.0 24.5 52.0 21.8 53.0 17.9 54.0 11.0 55.0 1.1 61.0 1.6 62.0 4.2 63.0 10.1 64.0 4.0 65.0 10.7 66.0 8.9 67.0 7.2 74.0 2.1 75.0 2.6 76.0 4.2 77.0 84.5 78.0 29.8 79.0 54.5 80.0 34.9 81.0 2.8 89.0 5.6 90.0 2.4 91.0 3.8 92.0 4.0 93.0 5.8 94.0 4.9 95.0 1.1 102.0 1.2 104.0 38.9 105.0 56.2 106.0 64.6 107.0 88.4 108.0 8.8 118.0 1.8 120.0 1.0 122.0 2.0 135.0 77.6 136.0 7.0 152.0 100.0 153.0 8.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H8 N2 O2 0.038 g : 0.5 ml CDCl3 3-nitro-p-toluidine 
Assign. Shift(ppm)
A 7.276 B 7.075 C 6.810 D 3.88 E 2.449
Hz ppm Int.2909.30 7.280 242 2906.86 7.274 250 2831.91 7.086 149 2823.73 7.066 171 2726.68 6.823 134 2724.12 6.817 128 2718.38 6.802 115 2715.94 6.796 108 1552.86 3.886 101 978.88 2.450 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
