1,4-ANTHRAQUINONE(635-12-1) 1H NMR
Product Name1,4-ANTHRAQUINONE
CAS635-12-1
Molecular FormulaC14H8O2
Molecular Weight208.21
InChIInChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H
InChIKey LSOTZYUVGZKSHR-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=C3C(=C2)C=CC=C3)C(=O)C=C1
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MassMS-NW-7201 1,4-anthraquinone C14H8O2 (Mass of molecular ion: 208)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.5 26.0 1.2 39.0 1.6 49.0 1.0 50.0 5.5 51.0 3.1 52.0 1.0 53.0 1.4 61.0 1.8 62.0 3.3 62.5 1.7 63.0 18.3 63.5 1.7 74.0 7.1 75.0 7.2 75.5 1.5 76.0 19.2 76.5 2.0 77.0 4.1 86.0 2.2 87.0 3.3 90.0 1.5 91.0 4.2 98.0 3.5 99.0 3.5 100.0 2.4 101.0 1.0 104.0 3.3 122.0 1.0 125.0 3.1 126.0 42.8 127.0 5.7 150.0 5.2 151.0 8.4 152.0 55.5 153.0 7.6 154.0 12.5 155.0 2.0 179.0 2.3 180.0 21.4 181.0 3.3 207.0 1.8 208.0 100.0 209.0 15.7 210.0 2.5 224.0 1.4 240.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H8 O2 0.028 g : 0.5 ml CDCl3 1,4-anthraquinone 
Assign. Shift(ppm)
A 8.579 B 8.039 C 7.685 D 7.055
Hz ppm Int.3428.34 8.579 487 3220.52 8.059 22 3217.62 8.052 123 3214.42 8.044 112 3211.52 8.036 116 3209.84 8.032 38 3208.01 8.028 131 3205.26 8.021 22 3078.77 7.704 27 3075.71 7.697 239 3072.36 7.688 159 3069.46 7.681 164 3066.10 7.672 217 2822.72 7.063 24 2819.52 7.055 1000
DMSO-d6
in CDCl3
KBr disc
nujol mull
