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2,2'-Ethylenbis(1-hydroxy-4-methoxy-9,10-anthraquinone)
SpectraBase Compound ID Gg9iPGT0slv
InChI InChI=1S/C32H22O8/c1-39-21-13-15(27(33)25-23(21)29(35)17-7-3-5-9-19(17)31(25)37)11-12-16-14-22(40-2)24-26(28(16)34)32(38)20-10-6-4-8-18(20)30(24)36/h3-10,13-14,33-34H,11-12H2,1-2H3
InChIKey KXABCNZYHQISJL-UHFFFAOYSA-N
Mol Weight 534.5 g/mol
Molecular Formula C32H22O8
Exact Mass 534.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oW6ScUs1xT
Name 2,2'-Ethylenbis(1-hydroxy-4-methoxy-9,10-anthraquinone)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.131467660 u
Formula C32H22O8
InChI InChI=1S/C32H22O8/c1-39-21-13-15(27(33)25-23(21)29(35)17-7-3-5-9-19(17)31(25)37)11-12-16-14-22(40-2)24-26(28(16)34)32(38)20-10-6-4-8-18(20)30(24)36/h3-10,13-14,33-34H,11-12H2,1-2H3
InChIKey KXABCNZYHQISJL-UHFFFAOYSA-N
Molecular Weight 534.520 g/mol
SMILES C=1C=C2C(=CC1)C(=O)C1=C(C(=C(C=C1OC)CCC1=CC(=C3C(=C1O)C(C1=C(C3=O)C=CC=C1)=O)OC)O)C2=O