2,3-DIMETHYL-6-NITROANILINE(59146-96-2) IR2
Product Name2,3-DIMETHYL-6-NITROANILINE
CAS59146-96-2
Molecular FormulaC8H10N2O2
Molecular Weight166.18
InChIInChI=1S/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2H3
InChIKey YEFYPFWBLCARLC-UHFFFAOYSA-N
SmilesC1(N)=C([N+]([O-])=O)C=CC(C)=C1C
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MassMS-NW-7016 6-nitro-2,3-xylidine C8H10N2O2 (Mass of molecular ion: 166)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.9 27.0 5.0 28.0 7.1 30.0 2.2 38.0 2.5 39.0 11.4 40.0 1.6 41.0 5.4 42.0 6.7 50.0 3.0 51.0 8.2 52.0 7.0 53.0 7.3 54.0 4.4 58.5 1.7 62.0 1.5 63.0 4.3 64.0 2.1 65.0 11.6 66.0 4.1 67.0 2.5 75.0 1.2 76.0 1.7 77.0 24.3 78.0 6.2 79.0 4.8 80.0 3.5 81.0 1.1 89.0 2.6 90.0 2.4 91.0 21.7 92.0 5.5 93.0 14.2 94.0 4.1 102.0 1.5 103.0 9.3 104.0 14.0 105.0 5.9 106.0 2.3 107.0 1.0 108.0 6.8 116.0 2.2 117.0 4.2 118.0 13.9 119.0 18.8 120.0 29.7 121.0 3.8 129.0 1.5 130.0 4.7 131.0 5.9 132.0 1.1 133.0 2.1 136.0 7.2 148.0 1.9 149.0 10.6 150.0 2.6 151.0 1.8 165.0 1.6 166.0 100.0 167.0 10.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 N2 O2 0.041 g : 0.5 ml CDCl3 6-nitro-2,3-xylidine 
Assign. Shift(ppm)
A 7.902 B 6.524 C 6. D *1 2.304 E *1 2.112
Hz ppm Int.3162.84 7.915 163 3154.05 7.893 170 2611.94 6.536 184 2611.57 6.535 172 2603.15 6.514 180 2602.66 6.513 167 920.90 2.305 1000 844.36 2.113 971
in CDCl3
KBr disc
nujol mull
