| SpectraBase Spectrum ID |
8t0qMOhVcXR |
| Name |
Anthraquinone-2,3-dicarboxylic acid anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.021523288 u |
| Formula |
C16H6O5 |
| InChI |
InChI=1S/C16H6O5/c17-13-7-3-1-2-4-8(7)14(18)10-6-12-11(5-9(10)13)15(19)21-16(12)20/h1-6H |
| InChIKey |
RUXFMPOMADVYPH-UHFFFAOYSA-N |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C=CC=C3)=CC=2C(=O)OC(C2C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932601 |
