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1,6,8-Trihydroxy-2-isopropyl-3-methoxy-9,10-anthraquinone

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

1,6,8-Trihydroxy-2-isopropyl-3-methoxy-9,10-anthraquinone
SpectraBase Compound ID HQFwcXML13U
InChI InChI=1S/C18H16O6/c1-7(2)13-12(24-3)6-10-15(17(13)22)18(23)14-9(16(10)21)4-8(19)5-11(14)20/h4-7,19-20,22H,1-3H3
InChIKey FMOONTSLXUVSTF-UHFFFAOYSA-N
Mol Weight 328.32 g/mol
Molecular Formula C18H16O6
Exact Mass 328.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XLGUOkIrgu
Name 1,6,8-Trihydroxy-2-isopropyl-3-methoxy-9,10-anthraquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.094688229 u
Formula C18H16O6
InChI InChI=1S/C18H16O6/c1-7(2)13-12(24-3)6-10-15(17(13)22)18(23)14-9(16(10)21)4-8(19)5-11(14)20/h4-7,19-20,22H,1-3H3
InChIKey FMOONTSLXUVSTF-UHFFFAOYSA-N
Molecular Weight 328.320 g/mol
SMILES C=12C(C=3C(=CC(=CC3C(C2=CC(=C(C1O)C(C)C)OC)=O)O)O)=O