1,4-Benzoquinone(106-51-4) MS
Product Name1,4-Benzoquinone
CAS106-51-4
Molecular FormulaC6H4O2
Molecular Weight108.09
InChIInChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey AZQWKYJCGOJGHM-UHFFFAOYSA-N
SmilesC1(=O)C=CC(=O)C=C1
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MassMS-NW-1277 p-benzoquinone C6H4O2 (Mass of molecular ion: 108)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
25.0 6.8 26.0 52.7 27.0 2.3 28.0 3.6 29.0 1.2 31.0 1.4 36.0 1.6 37.0 4.2 38.0 2.5 41.0 2.1 49.0 3.0 50.0 7.0 51.0 6.2 52.0 23.0 53.0 19.3 54.0 97.5 55.0 4.1 60.0 1.2 61.0 2.9 62.0 2.1 63.0 1.3 80.0 34.3 81.0 2.3 82.0 42.2 83.0 1.8 108.0 100.0 109.0 6.8 110.0 2.6
parameter in CDCl3
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1H NMR 300 MHz C6 H4 O2 0.047 g : 0.5 ml CDCl3 p-benzoquinone 
Parameter ppm Hz
D(A) 6.800
Hz ppm Int.2040.00 6.800 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
REACTION WITH HEXABUTYLDISTANNANE
SEMIQUINONE ANION RADICAL, ELECTRORED. IN DMSO
SEMIQUINONE ANION RADICAL, ELECTRORED. IN ETHANOL
SEMIQUINONE RADICAL, PHOTOLYSIS IN C2H5OH/CH3COOH/
