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
Mass
MS-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
1H NMR | 300 MHz |
C6 H4 O2 | 0.047 g : 0.5 ml CDCl3 |
p-benzoquinone |
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Parameter ppm Hz |
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/
1,4-Benzoquinone(106-51-4) IR1 Atlas of Related Products
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