| SpectraBase Spectrum ID |
BRqrnxZVKo5 |
| Name |
Anthraquinone-1,6-dicarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.032087972 u |
| Formula |
C16H8O6 |
| InChI |
InChI=1S/C16H8O6/c17-13-9-2-1-3-10(16(21)22)12(9)14(18)8-5-4-7(15(19)20)6-11(8)13/h1-6H,(H,19,20)(H,21,22) |
| InChIKey |
REZXKJZMMULMJE-UHFFFAOYSA-N |
| Molecular Weight |
296.234 g/mol |
| SMILES |
C=12C(C=3C=CC(=CC3C(C2=CC=CC1C(=O)O)=O)C(=O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988131 |
