SpectraBase Compound ID | Gm1tQacwNa3 |
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InChI | InChI=1S/C7H5BrO2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,10H |
InChIKey | LQTXMBDCLHZDAM-UHFFFAOYSA-N |
Mol Weight | 201.02 g/mol |
Molecular Formula | C7H5BrO2 |
Exact Mass | 199.947292 g/mol |
SpectraBase Spectrum ID | AagAtnaVZY6 |
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Name | 2-Bromo-6-hydroxybenzaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 199.947292399 u |
Formula | C7H5BrO2 |
InChI | InChI=1S/C7H5BrO2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,10H |
InChIKey | LQTXMBDCLHZDAM-UHFFFAOYSA-N |
Molecular Weight | 201.019 g/mol |
SMILES | C=1C(=C(C=O)C(O)=CC1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851246 |