| SpectraBase Compound ID | 56wvwlgKq6m |
|---|---|
| InChI | InChI=1S/C14H12Cl2O4/c1-2-3-4-19-14(18)12-7-11(17)9-5-8(15)6-10(16)13(9)20-12/h5-7H,2-4H2,1H3 |
| InChIKey | VRDBBWUMZKQOMJ-UHFFFAOYSA-N |
| Mol Weight | 315.15 g/mol |
| Molecular Formula | C14H12Cl2O4 |
| Exact Mass | 314.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLA5l838qGl |
|---|---|
| Name | 6,8-Dichloro-4-oxo-4H-1-benzopyran-2-carboxylic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.011264262 u |
| Formula | C14H12Cl2O4 |
| InChI | InChI=1S/C14H12Cl2O4/c1-2-3-4-19-14(18)12-7-11(17)9-5-8(15)6-10(16)13(9)20-12/h5-7H,2-4H2,1H3 |
| InChIKey | VRDBBWUMZKQOMJ-UHFFFAOYSA-N |
| Molecular Weight | 315.152 g/mol |
| SMILES | C=12C=C(C=C(C1OC(=CC2=O)C(OCCCC)=O)Cl)Cl |