1,4-Benzoquinone dioxime(105-11-3) IR2
Product Name1,4-Benzoquinone dioxime
CAS105-11-3
Molecular FormulaC6H6N2O2
Molecular Weight138.12
InChIInChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H
InChIKey LNHURPJLTHSVMU-UHFFFAOYSA-N
SmilesC1(=NO)C=CC(=NO)C=C1
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MassMS-NW-4295 p-benzoquinone dioxime C6H6N2O2 (Mass of molecular ion: 138)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.7 18.0 7.3 26.0 3.5 27.0 2.5 28.0 4.6 29.0 1.0 30.0 3.6 37.0 3.0 38.0 3.8 39.0 10.2 40.0 3.9 41.0 2.1 42.0 2.0 43.0 2.2 44.0 1.9 50.0 4.9 51.0 8.0 52.0 24.6 53.0 16.5 54.0 1.7 61.0 1.4 62.0 2.6 63.0 11.0 64.0 7.8 65.0 8.1 66.0 3.9 67.0 1.1 68.0 1.6 69.0 2.2 74.0 1.0 75.0 1.1 76.0 6.8 77.0 6.0 78.0 23.3 79.0 4.5 80.0 2.4 81.0 1.2 90.0 8.8 91.0 6.9 92.0 3.3 95.0 3.4 103.0 3.7 106.0 1.9 107.0 5.7 108.0 8.5 122.0 3.4 123.0 2.0 136.0 2.0 137.0 1.2 138.0 100.0 139.0 7.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H6 N2 O2 0.032 g : 0.5 ml DMSO-d6 p-benzoquinone dioxime 
Assign. Shift(ppm)
A 12.15 B 12.13 C 7.264 D 7.149 E 6.767 F 6.671 MIXTURE OF ISOMERS.
Hz ppm Int.4855.93 12.151 1000 4852.26 12.142 147 4848.78 12.133 561 4842.55 12.117 35 2904.10 7.267 445 2903.19 7.265 413 2902.46 7.263 425 2899.16 7.255 30 2863.26 7.165 436 2861.24 7.160 395 2857.58 7.151 37 2853.00 7.139 463 2851.17 7.135 485 2710.13 6.782 477 2708.30 6.777 430 2705.00 6.769 41 2704.64 6.768 39 2703.90 6.766 40 2700.06 6.757 400 2698.04 6.752 404 2667.27 6.675 432 2666.17 6.672 410 2665.44 6.670 411
at 80C
KBr disc
liquid film
nujol mull
