Product Name4-Methyl-2-nitroaniline
CAS89-62-3
Molecular FormulaC7H8N2O2
Molecular Weight152.15
InChIInChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
InChIKey DLURHXYXQYMPLT-UHFFFAOYSA-N
SmilesC1(N)=CC=C(C)C=C1[N+]([O-])=O
Mass
MS-NW-1709 2-nitro-p-toluidine C7H8N2O2 (Mass of molecular ion: 152)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
17.0 1.4 18.0 5.5 26.0 3.2 27.0 12.9 28.0 13.2 29.0 1.5 30.0 6.8 37.0 3.8 38.0 8.4 39.0 25.8 40.0 4.6 41.0 9.3 42.0 5.8 44.0 1.6 46.0 1.4 49.0 2.0 50.0 14.3 51.0 34.9 52.0 35.2 53.0 21.6 54.0 10.3 55.0 1.2 61.0 2.5 62.0 5.6 63.0 11.9 64.0 6.2 65.0 13.5 66.0 12.2 67.0 6.6 74.0 3.4 75.0 3.9 76.0 7.7 77.0 82.7 78.0 27.0 79.0 62.2 80.0 10.2 89.0 3.9 90.0 2.9 91.0 7.5 92.0 2.7 93.0 5.6 94.0 26.7 95.0 1.8 102.0 1.3 103.0 1.0 104.0 24.9 105.0 13.5 106.0 80.4 107.0 6.9 122.0 9.9 135.0 2.9 136.0 2.5 151.0 2.7 152.0 100.0 153.0 8.9
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C7 H8 N2 O2 | 0.046 g : 0.5 ml CDCl3 |
2-nitro-p-toluidine |
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Assign. Shift(ppm) |
Hz ppm Int.
651.56 7.276 173 649.31 7.251 202 637.75 7.121 105 629.56 7.030 187 613.50 6.851 130 611.19 6.825 126 607.31 6.782 23 605.31 6.759 74 602.88 6.732 70 343.88 3.840 156 334.13 3.731 27 218.88 2.444 1000
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
4-Methyl-2-nitroaniline(89-62-3) MS Atlas of Related Products
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