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 |