| SpectraBase Compound ID | DCWsyvOkLOn |
|---|---|
| InChI | InChI=1S/C11H7ClO4/c1-15-11(14)10-5-8(13)7-4-6(12)2-3-9(7)16-10/h2-5H,1H3 |
| InChIKey | QADCAYSHKOBAAQ-UHFFFAOYSA-N |
| Mol Weight | 238.63 g/mol |
| Molecular Formula | C11H7ClO4 |
| Exact Mass | 238.003286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28QAIN6dRA0 |
|---|---|
| Name | Methyl 6-chloro-4-oxo-4H-chromene-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.003286401 u |
| Formula | C11H7ClO4 |
| InChI | InChI=1S/C11H7ClO4/c1-15-11(14)10-5-8(13)7-4-6(12)2-3-9(7)16-10/h2-5H,1H3 |
| InChIKey | QADCAYSHKOBAAQ-UHFFFAOYSA-N |
| Molecular Weight | 238.626 g/mol |
| SMILES | COC(=O)C=1OC2=C(C(=O)C1)C=C(Cl)C=C2 |