DUROQUINONE(527-17-3) IR3
Product NameDUROQUINONE
CAS527-17-3
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
InChIKey WAMKWBHYPYBEJY-UHFFFAOYSA-N
SmilesC1(=O)C(C)=C(C)C(=O)C(C)=C1C
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MassMS-NW-2786 duroquinone C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 290 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.6 26.0 2.1 27.0 22.7 28.0 1.6 29.0 3.5 38.0 1.9 39.0 27.6 40.0 1.9 41.0 5.0 43.0 4.3 50.0 5.1 51.0 11.1 52.0 8.0 53.0 27.2 54.0 51.2 55.0 7.1 63.0 2.0 65.0 4.8 66.0 1.8 67.0 7.2 77.0 12.6 78.0 2.4 79.0 5.3 80.0 1.6 81.0 1.4 82.0 17.6 83.0 4.8 91.0 16.2 92.0 2.7 93.0 47.1 94.0 4.5 103.0 1.5 105.0 2.2 107.0 9.0 108.0 18.5 109.0 1.9 110.0 6.1 117.0 1.8 119.0 1.9 121.0 100.0 122.0 9.1 135.0 22.3 136.0 76.9 137.0 7.8 149.0 3.6 164.0 97.6 165.0 10.7 166.0 2.4
parameter in CDCl3
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1H NMR 300 MHz C10 H12 O2 0.034 g : 0.5 ml CDCl3 duroquinone 
Parameter ppm Hz
D(A) 2.016
Hz ppm Int.604.80 2.016 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
ANION RADICAL, PHOTOLYSIS IN ETHANOL
TREATING WITH SODIUM DITHIONITE IN CONC. D2SO4
