1,5-DIHYDROXYANTHRAQUINONE(117-12-4) IR1
Product Name1,5-DIHYDROXYANTHRAQUINONE
CAS117-12-4
Molecular FormulaC14H8O4
Molecular Weight240.21
InChIInChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
InChIKey JPICKYUTICNNNJ-UHFFFAOYSA-N
SmilesC1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3O)=CC=C1
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MassMS-NW-5695 1,5-dihydroxyanthraquinone C14H8O4 (Mass of molecular ion: 240)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.0 28.0 1.3 38.0 1.2 39.0 2.8 50.0 1.4 51.0 3.2 53.0 1.4 61.0 1.0 62.0 3.0 63.0 6.1 64.0 4.0 65.0 1.6 69.0 1.2 74.0 2.0 75.0 3.0 76.0 1.7 77.0 2.3 77.5 1.1 78.0 1.2 79.0 1.3 83.0 1.0 86.0 1.3 87.0 1.5 91.0 2.2 92.0 9.7 93.0 1.5 101.0 1.9 102.0 2.7 106.0 1.0 119.0 2.6 120.0 4.2 121.0 1.9 126.0 2.2 127.0 4.4 128.0 6.3 129.0 1.2 137.0 1.0 138.0 4.3 139.0 2.6 155.0 5.8 156.0 2.6 168.0 1.2 183.0 1.5 184.0 14.0 185.0 2.0 211.0 1.9 212.0 11.0 213.0 1.6 223.0 6.6 224.0 4.6 239.0 6.0 240.0 100.0 241.0 16.0 242.0 2.1 256.0 2.8
parameter in CDCl3
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1H NMR 300 MHz C14 H8 O4 5 mol% in CDCl3 1,5-dihydroxyanthraquinone 
Parameter ppm Hz
D(A) 7.818 D(B) 7.665 D(C) 7.284 D(D) 12.012 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.3603.61 12.012 1000 2350.04 7.833 289 2348.90 7.830 298 2342.56 7.809 407 2341.42 7.805 406 2307.36 7.691 276 2299.04 7.663 352 2291.47 7.638 220 2189.86 7.300 378 2188.71 7.296 373 2181.41 7.271 327 2180.27 7.268 322
KBr disc
nujol mull
