| SpectraBase Compound ID | G25NntMq1mL |
|---|---|
| InChI | InChI=1S/C13H8BrClO4/c14-12-6-5-11(19-12)13(17)18-7-10(16)8-1-3-9(15)4-2-8/h1-6H,7H2 |
| InChIKey | CQQMPUKHSYDTRS-UHFFFAOYSA-N |
| Mol Weight | 343.56 g/mol |
| Molecular Formula | C13H8BrClO4 |
| Exact Mass | 341.929449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRB2YpAbabX |
|---|---|
| Name | 2-(4-Chlorophenyl)-2-oxoethyl 5-bromo-2-furoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.929449434 u |
| Formula | C13H8BrClO4 |
| InChI | InChI=1S/C13H8BrClO4/c14-12-6-5-11(19-12)13(17)18-7-10(16)8-1-3-9(15)4-2-8/h1-6H,7H2 |
| InChIKey | CQQMPUKHSYDTRS-UHFFFAOYSA-N |
| Molecular Weight | 343.560 g/mol |
| SMILES | C=1(OC(Br)=CC1)C(OCC(C=1C=CC(=CC1)Cl)=O)=O |