| SpectraBase Compound ID | 8koal18YVe1 |
|---|---|
| InChI | InChI=1S/C15H7IO4/c16-7-4-5-8-11(6-7)13(17)9-2-1-3-10(15(19)20)12(9)14(8)18/h1-6H,(H,19,20) |
| InChIKey | YEMMHBRWPQJQRA-UHFFFAOYSA-N |
| Mol Weight | 378.12 g/mol |
| Molecular Formula | C15H7IO4 |
| Exact Mass | 377.938904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAlTsCnI9Pn |
|---|---|
| Name | 6-Iodoanthraquinone-1-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.938903701 u |
| Formula | C15H7IO4 |
| InChI | InChI=1S/C15H7IO4/c16-7-4-5-8-11(6-7)13(17)9-2-1-3-10(15(19)20)12(9)14(8)18/h1-6H,(H,19,20) |
| InChIKey | YEMMHBRWPQJQRA-UHFFFAOYSA-N |
| Molecular Weight | 378.121 g/mol |
| SMILES | C12=C(C=C(C=C2)I)C(C=2C(C1=O)=C(C=CC2)C(=O)O)=O |