N,N-DIMETHYL-4-NITROANILINE(100-23-2) MS
Product NameN,N-DIMETHYL-4-NITROANILINE
CAS100-23-2
Molecular FormulaC8H10N2O2
Molecular Weight166.18
InChIInChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
InChIKey QJAIOCKFIORVFU-UHFFFAOYSA-N
SmilesC1(N(C)C)=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-0200 N,N-dimethyl-p-nitroaniline C8H10N2O2 (Mass of molecular ion: 166)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 3.0 27.0 1.3 28.0 1.2 30.0 1.8 38.0 1.7 39.0 4.2 41.0 1.4 42.0 22.5 43.0 1.5 44.0 2.1 50.0 7.2 51.0 6.5 52.0 2.7 53.0 1.1 62.0 1.5 63.0 6.5 64.0 2.4 65.0 5.3 66.0 2.8 67.0 2.0 68.0 1.8 69.0 1.6 74.0 2.7 75.0 2.8 76.0 5.7 77.0 18.0 78.0 8.4 79.0 9.5 80.0 1.8 90.0 3.5 91.0 8.6 92.0 5.6 93.0 3.6 94.0 1.0 103.0 2.2 104.0 10.4 105.0 17.3 106.0 2.2 108.0 5.0 117.0 1.5 118.0 8.5 119.0 29.0 120.0 17.3 121.0 1.7 136.0 25.7 137.0 2.5 150.0 2.7 163.0 1.1 165.0 22.9 166.0 100.0 167.0 10.0
90 MHz in CDCl3
parameter in acetone
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1H NMR 89.56 MHz C8 H10 N2 O2 0.031 g : 0.5 ml CDCl3 N,N-dimethyl-p-nitroaniline 
Assign. Shift(ppm)
A 8.094 B 6.589 C 3.103 J(A,B)=9.5HZ
Hz ppm Int.730.00 8.151 117 727.75 8.126 32 722.69 8.070 34 720.44 8.045 133 594.69 6.641 98 592.50 6.616 27 587.38 6.559 22 585.19 6.535 84 278.00 3.105 1000
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1H NMR 300 MHz C8 H10 N2 O2 1.3 mol% in acetone N,N-dimethyl-p-nitroaniline Parameter ppm Hz
D(A) 8.05 D(B) 6.79 J(A,A') 3.0 J(A,B) 9.0 J(A,B') 0.2 J(A',B) 0.2 J(A',B') 9.0 J(B,B') 2.6 D(C) 3.18 DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)
Hz ppm Int.2423.08 8.077 11 2419.66 8.066 112 2417.52 8.058 36 2412.65 8.042 37 2410.51 8.035 119 2407.10 8.024 12 2044.98 6.817 12 2041.56 6.805 118 2039.42 6.798 37 2034.55 6.782 36 2032.41 6.775 114 2029.00 6.763 11 953.98 3.180 1000
in CDCl3
KBr disc
nujol mull
