| SpectraBase Compound ID | AEhLTaFsq4H |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2 |
| InChIKey | AUBCSGZQJXSWGV-UHFFFAOYSA-N |
| Mol Weight | 229.07 g/mol |
| Molecular Formula | C9H9BrO2 |
| Exact Mass | 227.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8olSseLvZPV |
|---|---|
| Name | 6-Bromanyl-3,4-dihydro-2H-chromen-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.978592528 u |
| Formula | C9H9BrO2 |
| InChI | InChI=1S/C9H9BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2 |
| InChIKey | AUBCSGZQJXSWGV-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | C12=C(OCCC2O)C=CC(=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968737 |