N,N-DIMETHYL-3,5-DINITROANILINE(46429-76-9) MS
Product NameN,N-DIMETHYL-3,5-DINITROANILINE
CAS46429-76-9
Molecular FormulaC8H9N3O4
Molecular Weight211.17
InChIInChI=1S/C8H9N3O4/c1-9(2)6-3-7(10(12)13)5-8(4-6)11(14)15/h3-5H,1-2H3
InChIKey OXIFFLMOPHMUEE-UHFFFAOYSA-N
SmilesC1(N(C)C)=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1
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MassMS-IW-9060 N,N-dimethyl-3,5-dinitroaniline C8H9N3O4 (Mass of molecular ion: 211)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.8 17.0 1.6 18.0 8.1 28.0 3.1 30.0 1.4 39.0 1.3 42.0 5.9 43.0 1.7 44.0 4.2 50.0 1.8 51.0 1.7 52.0 1.1 53.0 1.0 55.0 1.4 56.0 1.6 62.0 2.2 63.0 21.9 64.0 2.2 65.0 1.2 66.0 4.3 67.0 1.0 68.0 2.0 69.0 1.8 72.0 65.3 73.0 2.7 74.0 3.4 75.0 14.6 76.0 2.3 77.0 1.2 79.0 3.5 80.0 1.5 82.0 1.8 88.0 1.3 91.0 1.8 92.0 4.9 94.0 3.9 103.0 1.8 104.0 8.7 105.0 1.0 105.5 1.0 106.0 8.6 107.0 5.0 118.0 8.6 119.0 6.4 120.0 1.6 134.0 16.1 135.0 9.3 164.0 5.9 165.0 5.0 210.0 13.3 211.0 100.0 212.0 10.3 213.0 1.3
parameter in CDCl3
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1H NMR 300 MHz C8 H9 N3 O4 0.040 g : 0.5 ml CDCl3 N,N-dimethyl-3,5-dinitroaniline 
Parameter ppm Hz
D(A) 8.238 D(B) 7.721 J(A,B) 1.9 D(C) 3.164
Hz ppm Int.2473.33 8.244 44 2471.43 8.238 86 2469.54 8.232 46 2317.27 7.724 175 2315.37 7.718 171 949.18 3.164 1000
in CDCl3
KBr disc
nujol mull
