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9,10-Anthracenedione, 1,4-dihydroxy-8-methoxy-2-(3-oxopentyl)-
SpectraBase Compound ID Exzra8K3x6A
InChI InChI=1S/C20H18O6/c1-3-11(21)8-7-10-9-13(22)16-17(18(10)23)20(25)15-12(19(16)24)5-4-6-14(15)26-2/h4-6,9,22-23H,3,7-8H2,1-2H3
InChIKey GIDSTCDDHIQXAD-UHFFFAOYSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16uzQX13ArD
Name 9,10-Anthracenedione, 1,4-dihydroxy-8-methoxy-2-(3-oxopentyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.110338294 u
Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-3-11(21)8-7-10-9-13(22)16-17(18(10)23)20(25)15-12(19(16)24)5-4-6-14(15)26-2/h4-6,9,22-23H,3,7-8H2,1-2H3
InChIKey GIDSTCDDHIQXAD-UHFFFAOYSA-N
Molecular Weight 354.358 g/mol
SMILES C=12C(C(=O)C3=C(C2=O)C=CC=C3OC)=C(O)C(=CC1O)CCC(=O)CC