| SpectraBase Compound ID | KFbEK27nj2h |
|---|---|
| InChI | InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13) |
| InChIKey | XFQHPAXNKDYMOX-UHFFFAOYSA-N |
| Mol Weight | 269.05 g/mol |
| Molecular Formula | C10H5BrO4 |
| Exact Mass | 267.937122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aOSbJI1kqF |
|---|---|
| Name | 6-Bromo-2-oxo-2H-1-benzopyran-3-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.937121637 u |
| Formula | C10H5BrO4 |
| InChI | InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13) |
| InChIKey | XFQHPAXNKDYMOX-UHFFFAOYSA-N |
| Molecular Weight | 269.050 g/mol |
| SMILES | OC(C=1C(OC=2C=CC(=CC2C1)Br)=O)=O |