SpectraBase Compound ID | 8iIRnRA0ZNK |
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InChI | InChI=1S/C8H5BrO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H |
InChIKey | OEHFPZMUTXRLFE-UHFFFAOYSA-N |
Mol Weight | 229.03 g/mol |
Molecular Formula | C8H5BrO3 |
Exact Mass | 227.942207 g/mol |
SpectraBase Spectrum ID | K57meIBAmUW |
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Name | 5-Bromo-4-hydroxy-1,3-benzenedicarboxaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 227.942207018 u |
Formula | C8H5BrO3 |
InChI | InChI=1S/C8H5BrO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H |
InChIKey | OEHFPZMUTXRLFE-UHFFFAOYSA-N |
Molecular Weight | 229.029 g/mol |
SMILES | C1(=C(C(=CC(=C1)Br)C=O)O)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892538 |