N,N-DIMETHYL-3-NITROANILINE(619-31-8) MS
Product NameN,N-DIMETHYL-3-NITROANILINE
CAS619-31-8
Molecular FormulaC8H10N2O2
Molecular Weight166.18
InChIInChI=1S/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3
InChIKey CJDICMLSLYHRPT-UHFFFAOYSA-N
SmilesC1(N(C)C)=CC=CC([N+]([O-])=O)=C1
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MassMS-NW-4220 N,N-dimethyl-m-nitroaniline C8H10N2O2 (Mass of molecular ion: 166)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 4.4 27.0 2.0 28.0 2.1 30.0 1.8 37.0 1.0 38.0 2.1 39.0 5.9 41.0 2.0 42.0 32.4 43.0 1.8 44.0 3.0 50.0 7.3 51.0 7.0 52.0 4.0 53.0 1.8 62.0 1.4 63.0 8.3 64.0 3.2 65.0 5.6 66.0 2.5 67.0 1.4 68.0 1.2 74.0 2.5 75.0 3.1 76.0 5.9 77.0 26.5 78.0 13.1 79.0 16.5 80.0 3.0 81.0 1.0 90.0 3.4 91.0 11.6 92.0 7.6 93.0 4.1 94.0 1.5 103.0 2.8 104.0 17.2 105.0 27.1 106.0 2.7 107.0 1.2 108.0 3.7 117.0 1.4 118.0 9.7 119.0 22.1 120.0 34.8 121.0 3.8 136.0 1.6 165.0 24.2 166.0 100.0 167.0 9.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 N2 O2 0.046 g : 0.5 ml CDCl3 N,N-dimethyl-m-nitroaniline 
Assign. Shift(ppm)
A 7.48 B 7.46 C 7.31 D 6.95 E 3.017
Hz ppm Int.670.38 7.486 35 668.63 7.466 121 666.75 7.445 112 662.19 7.394 46 655.00 7.314 26 654.06 7.304 51 652.81 7.290 26 626.94 7.001 31 625.69 6.987 31 624.38 6.972 28 622.94 6.956 23 617.00 6.890 28 270.19 3.017 1000
in CDCl3
KBr disc
nujol mull
