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6-Acetoxy-2-(t-butoxymethyl)-1-hydroxy-8-methylanthraquinone

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

6-Acetoxy-2-(t-butoxymethyl)-1-hydroxy-8-methylanthraquinone
SpectraBase Compound ID JdasLAviaP6
InChI InChI=1S/C22H22O6/c1-11-8-14(28-12(2)23)9-16-17(11)21(26)18-15(20(16)25)7-6-13(19(18)24)10-27-22(3,4)5/h6-9,24H,10H2,1-5H3
InChIKey MTWPKZGCHHYDBG-UHFFFAOYSA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GrKJqpIBzHD
Name 6-Acetoxy-2-(T-butoxymethyl)-1-hydroxy-8-methylanthraquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.141638422 u
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-11-8-14(28-12(2)23)9-16-17(11)21(26)18-15(20(16)25)7-6-13(19(18)24)10-27-22(3,4)5/h6-9,24H,10H2,1-5H3
InChIKey MTWPKZGCHHYDBG-UHFFFAOYSA-N
Molecular Weight 382.412 g/mol
SMILES C=12C(C=3C(=CC(=CC3C(C2=CC=C(C1O)COC(C)(C)C)=O)OC(=O)C)C)=O