| SpectraBase Compound ID | 23By4VVxVrh |
|---|---|
| InChI | InChI=1S/C15H6Cl2O4/c16-10-4-8-9(5-11(10)17)14(19)12-6(13(8)18)2-1-3-7(12)15(20)21/h1-5H,(H,20,21) |
| InChIKey | LTQQNOCPMNSDJT-UHFFFAOYSA-N |
| Mol Weight | 321.12 g/mol |
| Molecular Formula | C15H6Cl2O4 |
| Exact Mass | 319.964314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8Uzwrb6Fwf |
|---|---|
| Name | 6,7-Dichloroanthraquinone-1-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.964314069 u |
| Formula | C15H6Cl2O4 |
| InChI | InChI=1S/C15H6Cl2O4/c16-10-4-8-9(5-11(10)17)14(19)12-6(13(8)18)2-1-3-7(12)15(20)21/h1-5H,(H,20,21) |
| InChIKey | LTQQNOCPMNSDJT-UHFFFAOYSA-N |
| Molecular Weight | 321.115 g/mol |
| SMILES | C12=C(C(C=3C(C2=O)=CC=CC3C(O)=O)=O)C=C(C(=C1)Cl)Cl |