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4-Acetyl-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
SpectraBase Compound ID 9Izc0QvW7Vr
InChI InChI=1S/C17H10O6/c1-7(18)12-13-10(6-11(16(12)21)17(22)23)14(19)8-4-2-3-5-9(8)15(13)20/h2-6,21H,1H3,(H,22,23)
InChIKey YITVNZHDOLNDJE-UHFFFAOYSA-N
Mol Weight 310.26 g/mol
Molecular Formula C17H10O6
Exact Mass 310.047738 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BaqzyJnzGMD
Name 4-Acetyl-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.047738036 u
Formula C17H10O6
InChI InChI=1S/C17H10O6/c1-7(18)12-13-10(6-11(16(12)21)17(22)23)14(19)8-4-2-3-5-9(8)15(13)20/h2-6,21H,1H3,(H,22,23)
InChIKey YITVNZHDOLNDJE-UHFFFAOYSA-N
Molecular Weight 310.261 g/mol
SMILES C=1C(=C(C(=C2C(C=3C=CC=CC3C(C12)=O)=O)C(=O)C)O)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970569