1,8-Dihydroxyanthraquinone(117-10-2) 13C NMR
Product Name1,8-Dihydroxyanthraquinone
CAS117-10-2
Molecular FormulaC14H8O4
Molecular Weight240.21
InChIInChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
InChIKey QBPFLULOKWLNNW-UHFFFAOYSA-N
SmilesC1(O)=C2C(C(=O)C3=C(C2=O)C(O)=CC=C3)=CC=C1
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MassMS-NW-4103 1,8-dihydroxyanthraquinone C14H8O4 (Mass of molecular ion: 240)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 1.1 39.0 1.7 51.0 2.4 53.0 1.0 62.0 2.1 63.0 4.7 64.0 2.9 69.0 1.8 74.0 1.4 75.0 2.1 76.0 1.1 77.0 1.5 86.0 1.1 87.0 1.1 91.0 1.3 92.0 6.0 101.0 1.2 102.0 2.0 106.0 1.2 119.0 1.1 120.0 3.5 126.0 1.5 127.0 3.3 128.0 4.6 137.0 1.5 138.0 6.0 139.0 2.0 155.0 4.3 156.0 1.7 183.0 1.5 184.0 11.8 185.0 1.6 211.0 2.3 212.0 14.1 213.0 2.1 223.0 4.8 224.0 1.2 239.0 3.1 240.0 100.0 241.0 15.7 242.0 2.0
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C14 H8 O4 0.045 g : 0.5 ml CDCl3 1,8-dihydroxyanthraquinone 
Assign. Shift(ppm)
A 11.98 B 7.759 C 7.654 D 7.256
Hz ppm Int.1072.99 11.981 1000 701.88 7.837 136 700.00 7.816 216 694.45 7.755 621 692.57 7.734 677 691.71 7.724 413 683.85 7.636 474 676.42 7.553 186 653.77 7.300 490 651.98 7.280 487 645.91 7.213 297 644.12 7.193 301
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1H NMR 300 MHz C14 H8 O4 5 mol% in CDCl3 1,8-dihydroxyanthraquinone Parameter ppm Hz
D(A) 7.794 D(B) 7.641 D(C) 7.257 D(D) 11.978 J(A,B) 7.51 J(A,C) 1.15 J(A,D) 0.0 J(B,C) 8.48 J(B,D) 0.41 J(C,D) 0.0 CRECELY,K.M. ET AL. J.MAGN.RESON. 1, 633 (1969)
Hz ppm Int.3593.43 11.978 1000 2342.86 7.810 289 2341.71 7.806 298 2335.38 7.785 404 2334.19 7.781 404 2300.13 7.667 276 2291.86 7.640 340 2284.20 7.614 231 2181.75 7.272 377 2180.61 7.269 373 2173.35 7.244 325 2172.16 7.241 321
in CDCl3
KBr disc
nujol mull
