2,6-DIMETHYLBENZOQUINONE(527-61-7) MS
Product Name2,6-DIMETHYLBENZOQUINONE
CAS527-61-7
Molecular FormulaC8H8O2
Molecular Weight136.15
InChIInChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey SENUUPBBLQWHMF-UHFFFAOYSA-N
SmilesC1(=O)C(C)=CC(=O)C=C1C
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MassMS-NW-8937 2,6-dimethyl-p-benzoquinone C8H8O2 (Mass of molecular ion: 136)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.9 28.0 1.4 37.0 2.4 38.0 11.4 39.0 57.0 40.0 50.4 41.0 4.8 43.0 1.1 50.0 3.1 51.0 5.0 52.0 3.5 53.0 9.1 54.0 1.3 62.0 1.3 63.0 2.5 65.0 3.8 66.0 3.5 67.0 8.4 68.0 100.0 69.0 8.2 77.0 7.5 78.0 2.5 79.0 44.5 80.0 21.2 81.0 1.8 90.0 4.2 91.0 2.2 93.0 2.5 96.0 26.8 97.0 1.5 107.0 18.4 108.0 72.6 109.0 5.9 136.0 82.2 137.0 8.8 138.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 O2 0.041 g : 0.5 ml CDCl3 2,6-dimethyl-p-benzoquinone 
Assign. Shift(ppm)
A 6.559 B 2.064
Hz ppm Int.588.19 6.568 225 587.50 6.560 260 583.63 6.517 24 185.50 2.072 1000 183.94 2.054 842
in CDCl3
KBr disc
nujol mull
