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2-Benzoyloxy-1,4-dimethoxyanthraquinone

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

2-Benzoyloxy-1,4-dimethoxyanthraquinone
SpectraBase Compound ID 66YuqbbHai2
InChI InChI=1S/C23H16O6/c1-27-16-12-17(29-23(26)13-8-4-3-5-9-13)22(28-2)19-18(16)20(24)14-10-6-7-11-15(14)21(19)25/h3-12H,1-2H3
InChIKey ZTNOEEQSFAAYQW-UHFFFAOYSA-N
Mol Weight 388.38 g/mol
Molecular Formula C23H16O6
Exact Mass 388.094688 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1nviaSWqI7c
Name 2-Benzoyloxy-1,4-dimethoxyanthraquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.094688229 u
Formula C23H16O6
InChI InChI=1S/C23H16O6/c1-27-16-12-17(29-23(26)13-8-4-3-5-9-13)22(28-2)19-18(16)20(24)14-10-6-7-11-15(14)21(19)25/h3-12H,1-2H3
InChIKey ZTNOEEQSFAAYQW-UHFFFAOYSA-N
Molecular Weight 388.375 g/mol
SMILES C=1(C(=CC(=C2C(=O)C=3C=CC=CC3C(=O)C12)OC)OC(C=1C=CC=CC1)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890777