2-Nitromesitylene(603-71-4) MS
Product Name2-Nitromesitylene
CAS603-71-4
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
InChIKey SCEKDQTVGHRSNS-UHFFFAOYSA-N
SmilesC1(C)=CC(C)=CC(C)=C1[N+]([O-])=O
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MassMS-NW-8743 2-nitromesitylene C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 8.1 28.0 4.0 29.0 3.2 30.0 1.5 38.0 1.7 39.0 18.7 40.0 2.6 41.0 23.4 42.0 3.1 43.0 4.4 50.0 4.6 51.0 13.8 52.0 5.6 53.0 10.3 54.0 1.4 55.0 2.1 57.5 1.5 62.0 2.2 63.0 7.6 64.0 2.3 65.0 16.0 66.0 2.7 67.0 3.6 74.0 1.8 75.0 2.2 76.0 1.9 77.0 42.9 78.0 11.2 79.0 18.7 80.0 4.8 81.0 1.9 89.0 3.1 90.0 1.2 91.0 68.3 92.0 11.5 93.0 57.1 94.0 5.9 102.0 3.3 103.0 21.4 104.0 15.0 105.0 7.5 106.0 5.3 107.0 2.6 115.0 12.1 116.0 4.1 117.0 16.0 118.0 10.6 119.0 21.6 120.0 46.3 121.0 8.3 130.0 1.4 131.0 1.2 133.0 2.6 134.0 1.3 135.0 3.1 148.0 100.0 149.0 10.8 165.0 52.5 166.0 5.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 N O2 0.038 g : 0.5 ml CDCl3 2-nitromesitylene 
Assign. Shift(ppm)
A 6.909 B 2.306 C 2.272
Hz ppm Int.619.13 6.914 207 618.56 6.907 203 212.31 2.371 24 206.63 2.308 524 203.56 2.273 1000
in CDCl3
KBr disc
nujol mull
