PHENYL-P-BENZOQUINONE(363-03-1) MS
Product NamePHENYL-P-BENZOQUINONE
CAS363-03-1
Molecular FormulaC12H8O2
Molecular Weight184.19
InChIInChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
InChIKey RLQZIECDMISZHS-UHFFFAOYSA-N
SmilesC1(=O)C=CC(=O)C=C1C1=CC=CC=C1
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MassMS-IW-1123 phenyl-p-benzoquinone C12H8O2 (Mass of molecular ion: 184)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
26.0 3.0 28.0 1.2 39.0 1.7 50.0 4.6 51.0 10.0 52.0 2.9 53.0 2.4 54.0 28.2 55.0 1.2 62.0 1.5 63.0 4.1 64.0 5.4 74.0 3.7 75.0 4.2 76.0 8.0 77.0 3.1 78.0 1.8 82.0 65.2 83.0 2.9 101.0 1.7 102.0 20.4 103.0 2.1 105.0 1.9 126.0 1.4 127.0 4.1 128.0 26.8 129.0 3.9 130.0 1.0 155.0 3.9 156.0 45.1 157.0 5.9 183.0 1.3 184.0 100.0 185.0 15.0 186.0 6.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H8 O2 0.037 g : 0.5 ml CDCl3 phenyl-p-benzoquinone 
Assign. Shift(ppm)
A 7.44 B 6.84 to 6.81
Hz ppm Int.677.63 7.567 30 676.31 7.552 38 675.19 7.539 47 674.44 7.531 43 674.31 7.530 43 673.38 7.519 49 671.88 7.503 69 666.56 7.443 1000 665.19 7.428 275 663.00 7.403 56 659.81 7.368 32 614.38 6.860 113 613.38 6.849 268 612.06 6.835 388 610.94 6.822 631 610.00 6.812 263 609.38 6.805 253
KBr disc
nujol mull
