1-Methoxy-2,4-dinitrobenzene(119-27-7) IR1
Product Name1-Methoxy-2,4-dinitrobenzene
CAS119-27-7
Molecular FormulaC7H6N2O5
Molecular Weight198.13
InChIInChI=1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3
InChIKey CVYZVNVPQRKDLW-UHFFFAOYSA-N
SmilesC1(OC)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
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MassMS-NW-4823 2,4-dinitroanisole C7H6N2O5 (Mass of molecular ion: 198)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 8.9 18.0 2.0 26.0 3.1 27.0 2.6 28.0 8.1 29.0 4.6 30.0 40.9 31.0 13.6 37.0 6.2 38.0 8.3 39.0 16.9 40.0 1.5 42.0 1.0 43.0 1.1 46.0 2.4 49.0 1.7 50.0 26.7 51.0 29.4 52.0 11.0 53.0 12.9 54.0 2.7 55.0 7.2 59.0 2.6 61.0 6.9 62.0 20.4 63.0 42.4 64.0 13.0 65.0 5.9 66.0 11.0 67.0 2.6 68.0 2.1 69.0 2.4 73.0 2.5 74.0 15.5 75.0 44.9 76.0 78.0 77.0 20.8 78.0 22.4 79.0 56.8 80.0 10.5 81.0 2.3 82.0 4.5 91.0 12.1 92.0 26.8 93.0 13.9 94.0 5.2 95.0 2.9 105.0 16.6 106.0 12.8 107.0 17.5 108.0 7.7 109.0 2.0 110.0 2.3 120.0 1.8 121.0 2.3 122.0 15.1 123.0 3.0 136.0 1.5 137.0 6.4 138.0 11.4 139.0 1.3 140.0 1.8 151.0 63.5 152.0 5.3 168.0 100.0 169.0 14.2 170.0 1.7 182.0 3.1 198.0 84.3 199.0 7.8 200.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 N2 O5 0.041 g : 0.5 ml CDCl3 2,4-dinitroanisole 
Assign. Shift(ppm)
A 8.703 B 8.434 C 7.251 D 4.105
Hz ppm Int.3479.74 8.707 165 3477.05 8.701 175 3376.95 8.450 100 3374.15 8.443 98 3367.68 8.427 106 3364.87 8.420 101 2902.34 7.263 159 2893.07 7.240 153 1640.87 4.106 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
