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1-Hydroxy-3-methyl-2-(4-methyl-3-oxohexanoyl)anthracene-9,10-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Hydroxy-3-methyl-2-(4-methyl-3-oxohexanoyl)anthracene-9,10-dione
SpectraBase Compound ID GAlCYo8bYPf
InChI InChI=1S/C22H20O5/c1-4-11(2)16(23)10-17(24)18-12(3)9-15-19(22(18)27)21(26)14-8-6-5-7-13(14)20(15)25/h5-9,11,27H,4,10H2,1-3H3
InChIKey DHTSGRFXLBOMHW-UHFFFAOYSA-N
Mol Weight 364.4 g/mol
Molecular Formula C22H20O5
Exact Mass 364.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zJuaaOlhd2
Name 1-Hydroxy-3-methyl-2-(4-methyl-3-oxohexanoyl)anthracene-9,10-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.131073739 u
Formula C22H20O5
InChI InChI=1S/C22H20O5/c1-4-11(2)16(23)10-17(24)18-12(3)9-15-19(22(18)27)21(26)14-8-6-5-7-13(14)20(15)25/h5-9,11,27H,4,10H2,1-3H3
InChIKey DHTSGRFXLBOMHW-UHFFFAOYSA-N
Molecular Weight 364.397 g/mol
SMILES C=1(C(=C(C=C2C(C=3C=CC=CC3C(C12)=O)=O)C)C(CC(C(CC)C)=O)=O)O