3-Methyl-4-nitroanisole(5367-32-8) 1H NMR
Product Name3-Methyl-4-nitroanisole
CAS5367-32-8
Molecular FormulaC8H9NO3
Molecular Weight167.16
InChIInChI=1S/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3
InChIKey RTZOGYCMIMOVHU-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C(OC)C=C1C
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MassMS-NW-6903 3-methyl-4-nitroanisole C8H9NO3 (Mass of molecular ion: 167)
Source Temperature: 120 °C Sample Temperature: 70 °C Direct, 75 eV
15.0 4.6 18.0 2.3 26.0 1.6 27.0 4.7 28.0 3.7 29.0 1.9 30.0 3.7 37.0 1.7 38.0 5.3 39.0 16.8 40.0 2.7 41.0 6.7 42.0 1.3 43.0 2.0 45.0 1.3 50.0 9.1 51.0 21.7 52.0 17.4 53.0 8.8 54.0 1.5 55.0 3.9 59.0 1.9 61.0 1.6 62.0 5.1 63.0 13.8 64.0 4.6 65.0 21.2 66.0 6.5 67.0 3.6 68.0 1.4 74.0 2.6 75.0 2.3 76.0 2.6 77.0 29.9 78.0 29.8 79.0 7.6 80.0 3.8 81.0 2.0 86.0 1.0 89.0 8.1 90.0 8.3 91.0 28.1 92.0 10.1 93.0 2.2 94.0 6.8 95.0 26.6 96.0 2.3 105.0 4.5 106.0 14.1 107.0 6.4 108.0 5.8 109.0 5.0 120.0 2.3 121.0 8.4 122.0 20.7 123.0 2.9 134.0 1.2 135.0 3.3 136.0 5.3 137.0 8.2 138.0 1.5 150.0 100.0 151.0 9.9 152.0 1.3 167.0 84.9 168.0 8.4 169.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 N O3 0.038 g : 0.5 ml CDCl3 3-methyl-4-nitroanisole 
Assign. Shift(ppm)
A 8.076 B 6.797 C 6.78 D 3.879 E 2.627
Hz ppm Int.3232.18 8.088 133 3223.27 8.066 138 2723.39 6.815 56 2720.58 6.808 80 2714.23 6.792 40 2711.67 6.786 105 2709.11 6.779 140 2706.91 6.774 66 2706.30 6.772 72 1550.42 3.880 1000 1049.80 2.627 611
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
