Anthraquinone(84-65-1) Raman
Product NameAnthraquinone
CAS84-65-1
Molecular FormulaC14H8O2
Molecular Weight208.21
InChIInChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey RZVHIXYEVGDQDX-UHFFFAOYSA-N
SmilesC1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1
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MassMS-NW-0320 anthraquinone C14H8O2 (Mass of molecular ion: 208)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 1.3 50.0 8.1 51.0 2.7 62.0 1.6 63.0 6.5 74.0 5.6 75.0 9.1 75.5 4.3 76.0 29.0 76.5 2.4 77.0 4.1 86.0 1.1 87.0 1.7 89.5 1.0 90.0 6.0 98.0 1.5 99.0 1.7 101.0 1.0 102.0 1.7 103.5 1.0 104.0 1.4 125.0 1.9 126.0 6.3 150.0 9.4 151.0 22.9 152.0 48.0 153.0 6.3 179.0 4.0 180.0 79.6 181.0 11.4 182.0 1.0 207.0 13.7 208.0 100.0 209.0 15.5 210.0 1.6
parameter in CDCl3
400 MHz in CDCl3
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1H NMR 300 MHz C14 H8 O2 in CDCl3 anthraquinone 
Parameter ppm Hz
D(A) 8.34 D(B) 7.83 J(A,A') 0.5 J(A,B) 8.1 J(A,B') 1.2 J(A',B) 1.2 J(A',B') 8.1 J(B,B') 7.6 SHARPLESS,N.E. & BRADLEY,R.B. ORG.MAGN.RESON. 6, 115 (1974)
Hz ppm Int.2511.48 8.372 67 2510.59 8.369 79 2506.76 8.356 887 2503.44 8.345 820 2500.78 8.336 803 2497.46 8.325 1000 2493.57 8.312 99 2492.82 8.309 87 2358.18 7.861 87 2357.44 7.858 99 2353.55 7.845 999 2350.23 7.834 799 2347.56 7.825 820 2344.24 7.814 887 2340.42 7.801 79 2339.53 7.798 67
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1H NMR 399.65 MHz C14 H8 O2 saturated in CDCl3 anthraquinone Assign. Shift(ppm)
A 8.324 B 7.810
Hz ppm Int.3336.18 8.348 65 3335.21 8.346 80 3334.11 8.343 31 3333.37 8.341 33 3331.67 8.337 864 3329.71 8.332 60 3328.25 8.328 682 3325.81 8.322 629 3322.51 8.314 1000 3320.92 8.310 45 3318.85 8.305 80 3317.99 8.303 67 3130.49 7.834 82 3129.52 7.831 98 3128.78 7.829 44 3128.30 7.828 42 3125.98 7.822 947 3122.68 7.814 629 3120.12 7.808 698 3116.82 7.799 935 3115.11 7.795 31 3114.75 7.794 30 3113.28 7.791 74 3112.30 7.788 52
in CDCl3
KBr disc
nujol mull
SEMIQUINONE ANION RADICAL, RED. WITH GLUCOSE
SEMIQUINONE ANION RADICAL, DAYLIGHT PHOTOLYSIS
