Acenaphthenequinone(82-86-0) 13C NMR
Product NameAcenaphthenequinone
CAS82-86-0
Molecular FormulaC12H6O2
Molecular Weight182.17
InChIInChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
InChIKey AFPRJLBZLPBTPZ-UHFFFAOYSA-N
SmilesC1(=O)C2C3C(C=CC=2)=CC=CC=3C1=O
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MassMS-NW-0134 acenaphthoquinone C12H6O2 (Mass of molecular ion: 182)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
28.0 1.6 37.0 1.6 38.0 1.4 39.0 2.5 49.0 1.3 50.0 9.7 51.0 3.5 52.0 1.4 61.0 4.4 62.0 5.4 63.0 15.4 63.5 1.1 73.0 1.9 74.0 17.9 75.0 9.5 76.0 12.5 77.0 4.1 85.0 2.1 86.0 4.3 87.0 7.3 91.0 1.2 97.0 1.1 98.0 8.3 99.0 7.0 100.0 6.1 122.0 1.7 125.0 4.9 126.0 99.1 127.0 11.3 139.0 1.3 140.0 1.8 154.0 100.0 155.0 12.3 156.0 1.1 168.0 2.1 182.0 46.8 183.0 6.4
400 MHz in DMSO-d6 (at 55.C)
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H6 O2 0.022 g : 0.5 ml DMSO-d6 at 55C acenaphthoquinone 
Assign. Shift(ppm)
A 8.432 B 8.071 C 7.917
Hz ppm Int.3374.51 8.444 737 3373.90 8.443 848 3370.61 8.434 27 3369.51 8.432 28 3366.09 8.423 840 3365.48 8.422 945 3362.30 8.414 23 3229.74 8.082 714 3229.13 8.080 768 3222.66 8.064 890 3222.05 8.063 1000 3171.39 7.936 776 3167.11 7.925 32 3164.43 7.919 685 3163.09 7.915 796 3160.28 7.908 33 3156.01 7.897 585
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1H NMR 399.65 MHz C12 H6 O2 saturated in CDCl3 acenaphthoquinone Assign. Shift(ppm)
A 8.294 B 8.130 C 7.867
Hz ppm Int.3319.82 8.307 836 3319.09 8.305 925 3311.28 8.286 934 3310.55 8.284 1000 3252.44 8.139 826 3251.95 8.137 845 3245.36 8.121 911 3244.75 8.119 995 3151.12 7.885 808 3144.17 7.868 822 3142.94 7.865 873 3135.99 7.847 610
in DMSO-d6 (at 50.C)
KBr disc
nujol mull
REDUCTION WITH ZN IN ALKALINE SOLUTION
SEMIQUINONE RADICAL, ELECTRORED. IN DMF
