4-Nitro-o-xylene(99-51-4) IR2
Product Name4-Nitro-o-xylene
CAS99-51-4
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3
InChIKey HFZKOYWDLDYELC-UHFFFAOYSA-N
SmilesC1(C)=CC=C([N+]([O-])=O)C=C1C
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MassMS-NW-4847 4-nitro-o-xylene C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.0 27.0 15.1 28.0 2.6 29.0 1.1 30.0 4.4 38.0 2.1 39.0 16.5 40.0 1.5 41.0 3.9 50.0 4.7 51.0 13.3 52.0 4.5 53.0 10.0 62.0 2.5 63.0 8.4 64.0 2.6 65.0 8.5 66.0 1.4 67.0 1.1 74.0 1.8 75.0 1.7 76.0 1.6 77.0 66.1 78.0 13.9 79.0 59.6 80.0 4.4 89.0 3.3 90.0 1.6 91.0 10.0 92.0 2.4 93.0 10.3 102.0 2.5 103.0 28.8 104.0 9.9 105.0 93.6 106.0 9.1 121.0 23.4 122.0 2.3 134.0 1.8 135.0 1.7 151.0 100.0 152.0 9.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H9 N O2 0.046 g : 0.5 ml CDCl3 4-nitro-o-xylene 
Assign. Shift(ppm)
A 7.98 B 7.95 C 7.26 D 2.35
Hz ppm Int.714.88 7.983 141 707.50 7.900 53 705.00 7.872 35 653.69 7.299 47 645.44 7.207 38 210.56 2.352 1000
in CDCl3
KBr disc
nujol mull
ANION RADICAL, ELECTROLYTIC REDUCTION IN CH3CN
