N-METHYL-2-NITROANILINE(612-28-2) Raman
Product NameN-METHYL-2-NITROANILINE
CAS612-28-2
Molecular FormulaC7H8N2O2
Molecular Weight152.15
InChIInChI=1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
InChIKey KFBOUJZFFJDYTA-UHFFFAOYSA-N
SmilesC1(NC)=CC=CC=C1[N+]([O-])=O
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MassMS-NW-8924 N-methyl-o-nitroaniline C7H8N2O2 (Mass of molecular ion: 152)
Source Temperature: 270 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.2 18.0 2.1 27.0 2.4 28.0 7.3 30.0 4.9 38.0 2.9 39.0 9.0 40.0 1.1 41.0 2.6 42.0 2.0 50.0 7.1 51.0 22.9 52.0 12.8 53.0 3.3 54.0 1.1 62.0 2.0 63.0 10.7 64.0 11.1 65.0 10.2 66.0 4.0 67.0 1.4 74.0 2.0 75.0 2.5 76.0 5.3 77.0 95.3 78.0 31.6 79.0 69.9 80.0 10.5 90.0 4.8 91.0 13.6 92.0 8.1 93.0 5.1 94.0 3.6 104.0 27.9 105.0 58.8 106.0 39.0 107.0 8.7 108.0 1.1 118.0 11.7 119.0 9.2 120.0 1.8 122.0 1.2 123.0 1.2 134.0 2.6 135.0 8.5 136.0 1.1 151.0 1.4 152.0 100.0 153.0 9.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H8 N2 O2 0.039 g : 0.5 ml CDCl3 N-methyl-o-nitroaniline 
Assign. Shift(ppm)
A 8.153 B 8.03 C 7.455 D 6.833 E 6.639 F 3.015 J(A,C)=1.5HZ J(A,D)=0.6HZ J(A,E)=8.7HZ J(C,D)=8.6HZ J(C,E)=7.0HZ J(D,E)=1.2HZ J(B,F)=5.1HZ
Hz ppm Int.3263.55 8.167 184 3262.08 8.163 184 3255.00 8.145 190 3253.42 8.141 188 2988.40 7.478 76 2987.79 7.477 79 2986.82 7.474 80 2986.21 7.473 75 2981.45 7.461 90 2980.83 7.459 98 2979.86 7.457 156 2979.25 7.455 152 2978.15 7.452 95 2977.54 7.451 84 2972.90 7.439 86 2972.29 7.438 88 2971.19 7.435 86 2970.58 7.433 77 2735.35 6.845 176 2734.50 6.843 177 2726.68 6.823 165 2725.83 6.821 163 2661.74 6.661 127 2660.52 6.658 124 2654.91 6.644 137 2653.44 6.640 183 2651.98 6.636 128 2646.24 6.622 121 2645.02 6.619 115 1207.64 3.022 1000 1202.51 3.009 985
in CDCl3
KBr disc
nujol mull
