| SpectraBase Compound ID | Kuov9aIf67Z |
|---|---|
| InChI | InChI=1S/C12H8Cl2O4/c1-2-17-12(16)10-5-9(15)7-3-6(13)4-8(14)11(7)18-10/h3-5H,2H2,1H3 |
| InChIKey | KXTBMGVAKAAGKJ-UHFFFAOYSA-N |
| Mol Weight | 287.1 g/mol |
| Molecular Formula | C12H8Cl2O4 |
| Exact Mass | 285.979964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lkr9TQeSdg |
|---|---|
| Name | 6,8-Dichloro-4-oxo-4H-1-benzopyran-2-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.979964134 u |
| Formula | C12H8Cl2O4 |
| InChI | InChI=1S/C12H8Cl2O4/c1-2-17-12(16)10-5-9(15)7-3-6(13)4-8(14)11(7)18-10/h3-5H,2H2,1H3 |
| InChIKey | KXTBMGVAKAAGKJ-UHFFFAOYSA-N |
| SMILES | C=12C=C(C=C(C1OC(=CC2=O)C(OCC)=O)Cl)Cl |