1,8,9-TRIHYDROXYANTHRACENE(480-22-8) 13C NMR
Product Name1,8,9-TRIHYDROXYANTHRACENE
CAS480-22-8
Molecular FormulaC14H10O3
Molecular Weight226.23
InChIInChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-17H
InChIKey YUTJCNNFTOIOGT-UHFFFAOYSA-N
SmilesC1(O)=C2C(C=C3C(=C2O)C(O)=CC=C3)=CC=C1
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MassMS-NW-7088 1,8,9-anthracenetriol C14H10O3 (Mass of molecular ion: 226)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.6 39.0 2.3 50.0 1.4 51.0 2.6 57.5 1.0 62.0 1.7 63.0 4.5 69.5 1.0 70.0 1.1 74.0 1.5 75.0 3.5 75.5 3.1 76.0 9.3 76.5 1.3 77.0 1.8 84.0 2.7 87.0 1.4 89.0 1.4 90.0 1.9 98.5 2.0 99.0 2.4 104.0 2.8 113.0 3.1 115.0 4.4 126.0 1.0 139.0 3.7 140.0 1.1 141.0 4.1 150.0 3.2 151.0 7.3 152.0 10.4 153.0 2.4 168.0 1.8 169.0 4.0 170.0 1.2 180.0 6.2 181.0 5.6 182.0 1.0 197.0 15.2 198.0 15.5 199.0 2.4 208.0 1.0 209.0 1.3 210.0 2.5 225.0 5.2 226.0 100.0 227.0 15.5 228.0 1.8 240.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C14 H10 O3 0.046 g : 0.5 ml CDCl3 1,8,9-anthracenetriol 
Assign. Shift(ppm)
A 12.21 B 7.423 C 6.83 D 4.241
Hz ppm Int.4881.57 12.215 43 4879.19 12.209 1000 2974.81 7.444 232 2966.75 7.424 377 2963.27 7.415 22 2959.05 7.405 257 2742.74 6.863 26 2741.64 6.861 24 2740.90 6.859 21 2732.29 6.837 569 2725.15 6.819 386 2724.24 6.817 667 2723.50 6.815 387 1694.84 4.241 424
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1H NMR 89.56 MHz C14 H10 O3 0.042 g : 0.5 ml CDCl3 1,8,9-anthracenetriol Assign. Shift(ppm)
A 12.22 B 7.437 C 6.86 D 4.28
Hz ppm Int.1094.35 12.220 1000 675.05 7.538 182 667.79 7.457 256 666.50 7.442 259 659.24 7.361 320 617.63 6.897 661 616.94 6.889 575 613.53 6.851 57 609.68 6.808 526 609.00 6.800 450 383.24 4.280 906 379.31 4.236 52 378.54 4.227 41 378.03 4.221 38
in CDCl3
KBr disc
nujol mull
