| SpectraBase Compound ID | BfTkkh7FE9g |
|---|---|
| InChI | InChI=1S/C12H9BrClNO2/c1-7-8(14)3-2-4-9(7)15-12(16)10-5-6-11(13)17-10/h2-6H,1H3,(H,15,16) |
| InChIKey | SEORHHLOOYKIQR-UHFFFAOYSA-N |
| Mol Weight | 314.57 g/mol |
| Molecular Formula | C12H9BrClNO2 |
| Exact Mass | 312.950519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6dxp0eVjVx |
|---|---|
| Name | 5-Bromofuran-2-carboxylic acid, (3-chloro-2-methylphenyl)amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.950519232 u |
| Formula | C12H9BrClNO2 |
| InChI | InChI=1S/C12H9BrClNO2/c1-7-8(14)3-2-4-9(7)15-12(16)10-5-6-11(13)17-10/h2-6H,1H3,(H,15,16) |
| InChIKey | SEORHHLOOYKIQR-UHFFFAOYSA-N |
| Molecular Weight | 314.566 g/mol |
| SMILES | C1(=CC=C(O1)C(NC1=CC=CC(=C1C)Cl)=O)Br |