| SpectraBase Compound ID | LCyevIZgqrD |
|---|---|
| InChI | InChI=1S/C13H10Cl2O4/c1-2-3-18-13(17)11-6-10(16)8-4-7(14)5-9(15)12(8)19-11/h4-6H,2-3H2,1H3 |
| InChIKey | HUJNTFTZIUPKQU-UHFFFAOYSA-N |
| Mol Weight | 301.13 g/mol |
| Molecular Formula | C13H10Cl2O4 |
| Exact Mass | 299.995614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L8Ajb3z7fZ7 |
|---|---|
| Name | 6,8-Dichloro-4-oxo-4H-1-benzopyran-2-carboxylic acid, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.995614198 u |
| Formula | C13H10Cl2O4 |
| InChI | InChI=1S/C13H10Cl2O4/c1-2-3-18-13(17)11-6-10(16)8-4-7(14)5-9(15)12(8)19-11/h4-6H,2-3H2,1H3 |
| InChIKey | HUJNTFTZIUPKQU-UHFFFAOYSA-N |
| Molecular Weight | 301.125 g/mol |
| SMILES | C=12C=C(C=C(C1OC(=CC2=O)C(OCCC)=O)Cl)Cl |