1,4-Dihydroxyanthraquinone(81-64-1) 1H NMR
Product Name1,4-Dihydroxyanthraquinone
CAS81-64-1
Molecular FormulaC14H8O4
Molecular Weight240.21
InChIInChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChIKey GUEIZVNYDFNHJU-UHFFFAOYSA-N
SmilesC1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C(O)C=C1
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MassMS-NW-6979 1,4-dihydroxyanthraquinone C14H8O4 (Mass of molecular ion: 240)
Source Temperature: 220 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.8 28.0 1.3 39.0 1.1 50.0 2.6 51.0 5.4 52.0 1.1 53.0 2.6 55.0 1.4 62.0 1.0 63.0 2.5 63.5 1.0 64.0 3.0 66.0 1.2 74.0 2.1 75.0 3.8 76.0 3.4 77.0 4.7 78.0 2.1 79.0 2.3 92.0 3.7 101.0 3.2 102.0 6.7 105.0 2.2 120.0 3.5 126.0 1.7 127.0 4.0 128.0 7.4 129.0 2.1 139.0 1.0 155.0 2.2 156.0 1.3 157.0 1.2 158.0 1.6 183.0 4.9 184.0 3.4 211.0 1.5 212.0 3.9 239.0 14.9 240.0 100.0 241.0 15.2 242.0 2.1
400 MHz in CDCl3
parameter in CDCl3
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1H NMR 399.65 MHz C14 H8 O4 saturated in CDCl3 1,4-dihydroxyanthraquinone 
Assign. Shift(ppm)
A 12.9 B 8.323 C 7.826 D 7.290
Hz ppm Int.5145.08 12.874 953 3335.18 8.346 32 3334.33 8.344 35 3330.69 8.335 254 3327.49 8.327 233 3324.92 8.320 225 3321.51 8.312 261 3317.87 8.302 35 3136.45 7.848 39 3135.60 7.846 42 3132.18 7.838 301 3128.76 7.829 257 3126.20 7.823 246 3122.99 7.815 271 3121.07 7.810 21 3119.36 7.806 32 3118.51 7.804 23 2913.80 7.291 1000
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1H NMR 300 MHz C14 H8 O4 5 mol% in CDCl3 1,4-dihydroxyanthraquinone Parameter ppm Hz
D(A) 8.300 D(B) 7.790 J(A,A') 0.56 J(A,B) 7.86 J(A,B') 1.31 J(A',B) 1.31 J(A',B') 7.86 J(B,B') 7.40 D(C) 7.259 D(D) 12.807 J(C,C') 0.0 J(C,D) 0.0 J(C,D') 0.42 J(C',D) 0.42 J(C',D') 0.0 J(D,D') 0.0 CRECELY,K.M. ET AL. J.MAGN.RESON. 1, 633 (1969)
Hz ppm Int.3842.12 12.807 1000 2499.28 8.331 22 2498.30 8.328 27 2494.68 8.316 305 2491.38 8.305 290 2488.90 8.296 280 2485.54 8.285 350 2481.93 8.273 33 2481.05 8.270 28 2345.97 7.820 29 2345.15 7.817 34 2341.48 7.805 344 2338.12 7.794 280 2335.70 7.786 285 2332.34 7.774 311 2328.78 7.763 27 2327.80 7.759 22 2177.74 7.259 1000
in CDCl3
KBr disc
nujol mull
