2,6-Dimethylpyridine N-oxide(1073-23-0) IR3
Product Name2,6-Dimethylpyridine N-oxide
CAS1073-23-0
Molecular FormulaC7H9NO
Molecular Weight123.15
InChIInChI=1S/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey LIDGFHXPUOJZMK-UHFFFAOYSA-N
SmilesC1(C)[N+]([O-])=C(C)C=CC=1
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MassMS-NW-0704 2,6-dimethylpyridine 1-oxide C7H9NO (Mass of molecular ion: 123)
Source Temperature: 210 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.4 18.0 4.0 26.0 1.5 27.0 8.3 28.0 7.3 32.0 1.6 37.0 1.8 38.0 4.9 39.0 26.4 40.0 4.0 41.0 4.8 42.0 3.1 50.0 4.7 51.0 9.2 52.0 4.8 52.5 1.0 53.0 8.8 54.0 1.6 61.0 1.3 62.0 3.0 63.0 7.3 64.0 3.6 65.0 16.9 66.0 10.4 67.0 2.0 77.0 26.8 78.0 6.3 79.0 62.3 80.0 6.6 89.0 2.3 91.0 3.8 92.0 7.8 93.0 2.4 94.0 1.5 104.0 1.9 105.0 1.0 106.0 100.0 107.0 27.2 108.0 2.3 123.0 87.4 124.0 7.2
parameter in CCl4
90 MHz in CDCl3
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1H NMR 300 MHz C7 H9 N O in CCl4 2,6-lutidine 1-oxide 
Parameter ppm Hz
D(A) 7.17 D(B) 6.92 J(A,B) 8.0 D(C) 2.41 ABRAMOVITCH,R.A. & DAVIS,J.B. J.CHEM.SOC.B 1966, 1137
Hz ppm Int.2155.11 7.184 369 2147.22 7.157 523 2083.54 6.945 178 2076.01 6.920 169 2075.21 6.917 165 2067.64 6.892 117 723.00 2.410 1000
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1H NMR 89.56 MHz C7 H9 N O 0.04 ml : 0.5 ml CDCl3 2,6-dimethylpyridine 1-oxide Assign. Shift(ppm)
A 7.13 B 7.12 C 2.54
Hz ppm Int.642.31 7.172 26 641.44 7.163 25 638.63 7.131 216 637.31 7.117 248 633.81 7.077 49 226.81 2.533 1000
in CDCl3
CCl4 solution
KBr disc
liquid film
ANION RADICAL, ELECTROLYSIS IN LIQ. AMMONIA, RT
